6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one

C128H141N41O18S5 — CID 165037671

IUPAC6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one
SMILESCCC(CC)n1c(=O)c(NCc2ccc(S(C)(=O)=O)cn2)nc2ncc(-c3c(OC)ncnc3C3CC3)nc21.COc1ncnc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n(C(C)C)c2n1.COc1ncnc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1.Cc1nc(N)nc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1.Cc1ncnc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1
InChIInChI=1S/C26H29N9O3S.C26H28N8O4S.C26H30N8O4S.C26H28N8O3S.C24H26N8O4S/c1-13-20(21(16-6-7-16)33-26(27)31-13)19-12-30-22-24(32-19)35(14(2)15-4-5-15)25(36)23(34-22)29-10-17-8-9-18(11-28-17)39(3,37)38;1-14(15-4-5-15)34-24-22(29-12-19(32-24)20-21(16-6-7-16)30-13-31-25(20)38-2)33-23(26(34)35)28-10-17-8-9-18(11-27-17)39(3,36)37;1-5-17(6-2)34-24-22(29-13-19(32-24)20-21(15-7-8-15)30-14-31-25(20)38-3)33-23(26(34)35)28-11-16-9-10-18(12-27-16)39(4,36)37;1-14-21(22(17-6-7-17)31-13-30-14)20-12-29-23-25(32-20)34(15(2)16-4-5-16)26(35)24(33-23)28-10-18-8-9-19(11-27-18)38(3,36)37;1-13(2)32-22-20(27-11-17(30-22)18-19(14-5-6-14)28-12-29-23(18)36-3)31-21(24(32)33)26-9-15-7-8-16(10-25-15)37(4,34)35/h8-9,11-12,14-16H,4-7,10H2,1-3H3,(H2,27,31,33)(H,29,30,34);8-9,11-16H,4-7,10H2,1-3H3,(H,28,29,33);9-10,12-15,17H,5-8,11H2,1-4H3,(H,28,29,33);8-9,11-13,15-17H,4-7,10H2,1-3H3,(H,28,29,33);7-8,10-14H,5-6,9H2,1-4H3,(H,26,27,31)/t2*14-;;15-;/m00.0./s1
InChIKeyNQEMQPWKAAFEJX-UCOCLZIWSA-N
MW2702.14 g/mol
LogP14.74
Rot. Bonds43

About 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one

6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one (PubChem CID 165037671) has the molecular formula C128H141N41O18S5 and a molecular weight of 2702.14 g/mol. Its IUPAC name is 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one
PubChem CID165037671
Molecular FormulaC128H141N41O18S5
Molecular Weight2702.14 g/mol
Exact Mass2700.00
IUPAC Name6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one
SMILESCCC(CC)n1c(=O)c(NCc2ccc(S(C)(=O)=O)cn2)nc2ncc(-c3c(OC)ncnc3C3CC3)nc21.COc1ncnc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n(C(C)C)c2n1.COc1ncnc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1.Cc1nc(N)nc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1.Cc1ncnc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1
InChIInChI=1S/C26H29N9O3S.C26H28N8O4S.C26H30N8O4S.C26H28N8O3S.C24H26N8O4S/c1-13-20(21(16-6-7-16)33-26(27)31-13)19-12-30-22-24(32-19)35(14(2)15-4-5-15)25(36)23(34-22)29-10-17-8-9-18(11-28-17)39(3,37)38;1-14(15-4-5-15)34-24-22(29-12-19(32-24)20-21(16-6-7-16)30-13-31-25(20)38-2)33-23(26(34)35)28-10-17-8-9-18(11-27-17)39(3,36)37;1-5-17(6-2)34-24-22(29-13-19(32-24)20-21(15-7-8-15)30-14-31-25(20)38-3)33-23(26(34)35)28-11-16-9-10-18(12-27-16)39(4,36)37;1-14-21(22(17-6-7-17)31-13-30-14)20-12-29-23-25(32-20)34(15(2)16-4-5-16)26(35)24(33-23)28-10-18-8-9-19(11-27-18)38(3,36)37;1-13(2)32-22-20(27-11-17(30-22)18-19(14-5-6-14)28-12-29-23(18)36-3)31-21(24(32)33)26-9-15-7-8-16(10-25-15)37(4,34)35/h8-9,11-12,14-16H,4-7,10H2,1-3H3,(H2,27,31,33)(H,29,30,34);8-9,11-16H,4-7,10H2,1-3H3,(H,28,29,33);9-10,12-15,17H,5-8,11H2,1-4H3,(H,28,29,33);8-9,11-13,15-17H,4-7,10H2,1-3H3,(H,28,29,33);7-8,10-14H,5-6,9H2,1-4H3,(H,26,27,31)/t2*14-;;15-;/m00.0./s1
InChIKeyNQEMQPWKAAFEJX-UCOCLZIWSA-N
XLogP14.74
TPSA781.26 Ų
H-Bond Donors6
H-Bond Acceptors59
Rotatable Bonds43
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002702.14
LogP ≤ 514.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1059

Analyze 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one?
The IUPAC name of 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one (CID 165037671) is 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one.
What is the SMILES notation for 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one?
The canonical SMILES for 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one is CCC(CC)n1c(=O)c(NCc2ccc(S(C)(=O)=O)cn2)nc2ncc(-c3c(OC)ncnc3C3CC3)nc21.COc1ncnc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n(C(C)C)c2n1.COc1ncnc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1.Cc1nc(N)nc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1.Cc1ncnc(C2CC2)c1-c1cnc2nc(NCc3ccc(S(C)(=O)=O)cn3)c(=O)n([C@@H](C)C3CC3)c2n1.
What is the InChIKey of 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one?
The InChIKey is NQEMQPWKAAFEJX-UCOCLZIWSA-N. The full InChI is InChI=1S/C26H29N9O3S.C26H28N8O4S.C26H30N8O4S.C26H28N8O3S.C24H26N8O4S/c1-13-20(21(16-6-7-16)33-26(27)31-13)19-12-30-22-24(32-19)35(14(2)15-4-5-15)25(36)23(34-22)29-10-17-8-9-18(11-28-17)39(3,37)38;1-14(15-4-5-15)34-24-22(29-12-19(32-24)20-21(16-6-7-16)30-13-31-25(20)38-2)33-23(26(34)35)28-10-17-8-9-18(11-27-17)39(3,36)37;1-5-17(6-2)34-24-22(29-13-19(32-24)20-21(15-7-8-15)30-14-31-25(20)38-3)33-23(26(34)35)28-11-16-9-10-18(12-27-16)39(4,36)37;1-14-21(22(17-6-7-17)31-13-30-14)20-12-29-23-25(32-20)34(15(2)16-4-5-16)26(35)24(33-23)28-10-18-8-9-19(11-27-18)38(3,36)37;1-13(2)32-22-20(27-11-17(30-22)18-19(14-5-6-14)28-12-29-23(18)36-3)31-21(24(32)33)26-9-15-7-8-16(10-25-15)37(4,34)35/h8-9,11-12,14-16H,4-7,10H2,1-3H3,(H2,27,31,33)(H,29,30,34);8-9,11-16H,4-7,10H2,1-3H3,(H,28,29,33);9-10,12-15,17H,5-8,11H2,1-4H3,(H,28,29,33);8-9,11-13,15-17H,4-7,10H2,1-3H3,(H,28,29,33);7-8,10-14H,5-6,9H2,1-4H3,(H,26,27,31)/t2*14-;;15-;/m00.0./s1.
What are the key properties of 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one?
6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one has a molecular weight of 2702.14 g/mol, XLogP of 14.74, 43 rotatable bonds, 6 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-4-cyclopropyl-6-methylpyrimidin-5-yl)-4-[(1S)-1-cyclopropylethyl]-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;4-[(1S)-1-cyclopropylethyl]-6-(4-cyclopropyl-6-methylpyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]pyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-pentan-3-ylpyrazino[2,3-b]pyrazin-3-one;6-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one is sourced from PubChem (CID 165037671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).