2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide

C125H177N35O13 — CID 158755113

IUPAC2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nc(NC3CNC3)cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)n2)CC1.CC(C)(C)N1CCN(c2nc(NC3COC3)cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)n2)CC1.CN(CCN)c1nc(NC2CNC2)cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n1.CNCCN(C)c1nc(NC2CNC2)cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2COC2)nc(C2CC2)n1
InChIInChI=1S/C28H41N7O3.C26H36N8O3.C24H36N8O2.C24H30N4O3.C23H34N8O2/c1-28(2,3)35-12-10-34(11-13-35)27-31-24(14-25(32-27)30-22-18-38-19-22)26(37)29-15-23(36)17-33-9-8-20-6-4-5-7-21(20)16-33;1-18(35)33-8-10-34(11-9-33)26-30-23(12-24(31-26)29-21-13-27-14-21)25(37)28-15-22(36)17-32-7-6-19-4-2-3-5-20(19)16-32;1-25-8-10-31(2)24-29-21(11-22(30-24)28-19-12-26-13-19)23(34)27-14-20(33)16-32-9-7-17-5-3-4-6-18(17)15-32;29-21(13-28-8-7-17-3-1-2-4-19(17)12-28)11-25-24(30)22-10-20(9-16-14-31-15-16)26-23(27-22)18-5-6-18;1-30(9-7-24)23-28-20(10-21(29-23)27-18-11-25-12-18)22(33)26-13-19(32)15-31-8-6-16-4-2-3-5-17(16)14-31/h4-7,14,22-23,36H,8-13,15-19H2,1-3H3,(H,29,37)(H,30,31,32);2-5,12,21-22,27,36H,6-11,13-17H2,1H3,(H,28,37)(H,29,30,31);3-6,11,19-20,25-26,33H,7-10,12-16H2,1-2H3,(H,27,34)(H,28,29,30);1-4,10,16,18,21,29H,5-9,11-15H2,(H,25,30);2-5,10,18-19,25,32H,6-9,11-15,24H2,1H3,(H,26,33)(H,27,28,29)/t23-;22-;20-;21-;19-/m00000/s1
InChIKeyINYWIBUWCQDXAU-VEIOUDGVSA-N
MW2378.02 g/mol
LogP1.80
Rot. Bonds45

About 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide

2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 158755113) has the molecular formula C125H177N35O13 and a molecular weight of 2378.02 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID158755113
Molecular FormulaC125H177N35O13
Molecular Weight2378.02 g/mol
Exact Mass2376.43
IUPAC Name2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCC(=O)N1CCN(c2nc(NC3CNC3)cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)n2)CC1.CC(C)(C)N1CCN(c2nc(NC3COC3)cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)n2)CC1.CN(CCN)c1nc(NC2CNC2)cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n1.CNCCN(C)c1nc(NC2CNC2)cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2COC2)nc(C2CC2)n1
InChIInChI=1S/C28H41N7O3.C26H36N8O3.C24H36N8O2.C24H30N4O3.C23H34N8O2/c1-28(2,3)35-12-10-34(11-13-35)27-31-24(14-25(32-27)30-22-18-38-19-22)26(37)29-15-23(36)17-33-9-8-20-6-4-5-7-21(20)16-33;1-18(35)33-8-10-34(11-9-33)26-30-23(12-24(31-26)29-21-13-27-14-21)25(37)28-15-22(36)17-32-7-6-19-4-2-3-5-20(19)16-32;1-25-8-10-31(2)24-29-21(11-22(30-24)28-19-12-26-13-19)23(34)27-14-20(33)16-32-9-7-17-5-3-4-6-18(17)15-32;29-21(13-28-8-7-17-3-1-2-4-19(17)12-28)11-25-24(30)22-10-20(9-16-14-31-15-16)26-23(27-22)18-5-6-18;1-30(9-7-24)23-28-20(10-21(29-23)27-18-11-25-12-18)22(33)26-13-19(32)15-31-8-6-16-4-2-3-5-17(16)14-31/h4-7,14,22-23,36H,8-13,15-19H2,1-3H3,(H,29,37)(H,30,31,32);2-5,12,21-22,27,36H,6-11,13-17H2,1H3,(H,28,37)(H,29,30,31);3-6,11,19-20,25-26,33H,7-10,12-16H2,1-2H3,(H,27,34)(H,28,29,30);1-4,10,16,18,21,29H,5-9,11-15H2,(H,25,30);2-5,10,18-19,25,32H,6-9,11-15,24H2,1H3,(H,26,33)(H,27,28,29)/t23-;22-;20-;21-;19-/m00000/s1
InChIKeyINYWIBUWCQDXAU-VEIOUDGVSA-N
XLogP1.80
TPSA568.98 Ų
H-Bond Donors19
H-Bond Acceptors42
Rotatable Bonds45
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.02
LogP ≤ 51.80
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1042

Analyze 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide (CID 158755113) is 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide is CC(=O)N1CCN(c2nc(NC3CNC3)cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)n2)CC1.CC(C)(C)N1CCN(c2nc(NC3COC3)cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)n2)CC1.CN(CCN)c1nc(NC2CNC2)cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n1.CNCCN(C)c1nc(NC2CNC2)cc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc(CC2COC2)nc(C2CC2)n1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is INYWIBUWCQDXAU-VEIOUDGVSA-N. The full InChI is InChI=1S/C28H41N7O3.C26H36N8O3.C24H36N8O2.C24H30N4O3.C23H34N8O2/c1-28(2,3)35-12-10-34(11-13-35)27-31-24(14-25(32-27)30-22-18-38-19-22)26(37)29-15-23(36)17-33-9-8-20-6-4-5-7-21(20)16-33;1-18(35)33-8-10-34(11-9-33)26-30-23(12-24(31-26)29-21-13-27-14-21)25(37)28-15-22(36)17-32-7-6-19-4-2-3-5-20(19)16-32;1-25-8-10-31(2)24-29-21(11-22(30-24)28-19-12-26-13-19)23(34)27-14-20(33)16-32-9-7-17-5-3-4-6-18(17)15-32;29-21(13-28-8-7-17-3-1-2-4-19(17)12-28)11-25-24(30)22-10-20(9-16-14-31-15-16)26-23(27-22)18-5-6-18;1-30(9-7-24)23-28-20(10-21(29-23)27-18-11-25-12-18)22(33)26-13-19(32)15-31-8-6-16-4-2-3-5-17(16)14-31/h4-7,14,22-23,36H,8-13,15-19H2,1-3H3,(H,29,37)(H,30,31,32);2-5,12,21-22,27,36H,6-11,13-17H2,1H3,(H,28,37)(H,29,30,31);3-6,11,19-20,25-26,33H,7-10,12-16H2,1-2H3,(H,27,34)(H,28,29,30);1-4,10,16,18,21,29H,5-9,11-15H2,(H,25,30);2-5,10,18-19,25,32H,6-9,11-15,24H2,1H3,(H,26,33)(H,27,28,29)/t23-;22-;20-;21-;19-/m00000/s1.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide?
2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 2378.02 g/mol, XLogP of 1.80, 45 rotatable bonds, 19 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;2-[2-aminoethyl(methyl)amino]-6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;6-(azetidin-3-ylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[methyl-[2-(methylamino)ethyl]amino]pyrimidine-4-carboxamide;2-(4-tert-butylpiperazin-1-yl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide;2-cyclopropyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 158755113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).