5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine

C99H121Cl5N34O14S — CID 158818091

IUPAC5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(CC2COC3C(Nc4nc(Nc5cnn(C)c5)ncc4Cl)COC23)nc1.Cc1ccc(C[C@H]2COC3C2OC[C@H]3Nc2nc(Nc3cnn(C)c3)ncc2Cl)nc1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C3OCC4N3CCCC3=O)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4CS(=O)(=O)CC3CCCC3)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4N3CCCC3=O)n2)cn1
InChIInChI=1S/2C21H24ClN7O2.C21H29ClN6O4S.2C18H22ClN7O3/c2*1-12-3-4-14(23-6-12)5-13-10-30-19-17(11-31-18(13)19)27-20-16(22)8-24-21(28-20)26-15-7-25-29(2)9-15;1-28-8-15(6-24-28)25-21-23-7-16(22)20(27-21)26-17-10-32-18-14(9-31-19(17)18)12-33(29,30)11-13-4-2-3-5-13;2*1-25-7-10(5-21-25)22-18-20-6-11(19)17(24-18)23-12-8-28-16-13(9-29-15(12)16)26-4-2-3-14(26)27/h2*3-4,6-9,13,17-19H,5,10-11H2,1-2H3,(H2,24,26,27,28);6-8,13-14,17-19H,2-5,9-12H2,1H3,(H2,23,25,26,27);2*5-7,12-13,15-16H,2-4,8-9H2,1H3,(H2,20,22,23,24)/t13-,17+,18?,19?;;14-,17-,18?,19?;12-,13+,15?,16?;/m0.11./s1
InChIKeyIVNHNPGWTCJHBS-JXEIUKCJSA-N
MW2220.61 g/mol
LogP10.25
Rot. Bonds30

About 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine

5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine (PubChem CID 158818091) has the molecular formula C99H121Cl5N34O14S and a molecular weight of 2220.61 g/mol. Its IUPAC name is 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
PubChem CID158818091
Molecular FormulaC99H121Cl5N34O14S
Molecular Weight2220.61 g/mol
Exact Mass2216.80
IUPAC Name5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine
SMILESCc1ccc(CC2COC3C(Nc4nc(Nc5cnn(C)c5)ncc4Cl)COC23)nc1.Cc1ccc(C[C@H]2COC3C2OC[C@H]3Nc2nc(Nc3cnn(C)c3)ncc2Cl)nc1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C3OCC4N3CCCC3=O)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4CS(=O)(=O)CC3CCCC3)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4N3CCCC3=O)n2)cn1
InChIInChI=1S/2C21H24ClN7O2.C21H29ClN6O4S.2C18H22ClN7O3/c2*1-12-3-4-14(23-6-12)5-13-10-30-19-17(11-31-18(13)19)27-20-16(22)8-24-21(28-20)26-15-7-25-29(2)9-15;1-28-8-15(6-24-28)25-21-23-7-16(22)20(27-21)26-17-10-32-18-14(9-31-19(17)18)12-33(29,30)11-13-4-2-3-5-13;2*1-25-7-10(5-21-25)22-18-20-6-11(19)17(24-18)23-12-8-28-16-13(9-29-15(12)16)26-4-2-3-14(26)27/h2*3-4,6-9,13,17-19H,5,10-11H2,1-2H3,(H2,24,26,27,28);6-8,13-14,17-19H,2-5,9-12H2,1H3,(H2,23,25,26,27);2*5-7,12-13,15-16H,2-4,8-9H2,1H3,(H2,20,22,23,24)/t13-,17+,18?,19?;;14-,17-,18?,19?;12-,13+,15?,16?;/m0.11./s1
InChIKeyIVNHNPGWTCJHBS-JXEIUKCJSA-N
XLogP10.25
TPSA531.14 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds30
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002220.61
LogP ≤ 510.25
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine (CID 158818091) is 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine is Cc1ccc(CC2COC3C(Nc4nc(Nc5cnn(C)c5)ncc4Cl)COC23)nc1.Cc1ccc(C[C@H]2COC3C2OC[C@H]3Nc2nc(Nc3cnn(C)c3)ncc2Cl)nc1.Cn1cc(Nc2ncc(Cl)c(NC3COC4C3OCC4N3CCCC3=O)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4CS(=O)(=O)CC3CCCC3)n2)cn1.Cn1cc(Nc2ncc(Cl)c(N[C@@H]3COC4C3OC[C@@H]4N3CCCC3=O)n2)cn1.
What is the InChIKey of 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
The InChIKey is IVNHNPGWTCJHBS-JXEIUKCJSA-N. The full InChI is InChI=1S/2C21H24ClN7O2.C21H29ClN6O4S.2C18H22ClN7O3/c2*1-12-3-4-14(23-6-12)5-13-10-30-19-17(11-31-18(13)19)27-20-16(22)8-24-21(28-20)26-15-7-25-29(2)9-15;1-28-8-15(6-24-28)25-21-23-7-16(22)20(27-21)26-17-10-32-18-14(9-31-19(17)18)12-33(29,30)11-13-4-2-3-5-13;2*1-25-7-10(5-21-25)22-18-20-6-11(19)17(24-18)23-12-8-28-16-13(9-29-15(12)16)26-4-2-3-14(26)27/h2*3-4,6-9,13,17-19H,5,10-11H2,1-2H3,(H2,24,26,27,28);6-8,13-14,17-19H,2-5,9-12H2,1H3,(H2,23,25,26,27);2*5-7,12-13,15-16H,2-4,8-9H2,1H3,(H2,20,22,23,24)/t13-,17+,18?,19?;;14-,17-,18?,19?;12-,13+,15?,16?;/m0.11./s1.
What are the key properties of 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine?
5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine has a molecular weight of 2220.61 g/mol, XLogP of 10.25, 30 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-[(3S,6R)-3-(cyclopentylmethylsulfonylmethyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine;1-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;1-[(3R,6S)-3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrrolidin-2-one;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine;5-chloro-2-N-(1-methylpyrazol-4-yl)-4-N-[(3S,6R)-3-[(5-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158818091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).