2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide

C107H138N26O9 — CID 158683769

IUPAC2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CC(C)CN(c1cc(C(=O)Cc2ccc3[nH]ncc3c2)ncn1)C1CCCC1.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Cc2ccc(CN)cc2)ncn1.COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C28H39N5O3.C22H27N5O.C20H24N6O.C19H26N4O.C18H22N6O3/c1-28(2,3)36-26(34)17-29-16-20-11-13-22(14-12-20)32-27(35)24-15-25(31-19-30-24)33(18-21-9-10-21)23-7-5-4-6-8-23;1-15(2)13-27(18-5-3-4-6-18)22-11-20(23-14-24-22)21(28)10-16-7-8-19-17(9-16)12-25-26-19;1-3-6-26(11-14-4-5-14)19-9-18(21-12-22-19)20(27)24-16-8-15-10-23-25-17(15)7-13(16)2;1-3-9-23(10-4-2)19-12-17(21-14-22-19)18(24)11-15-5-7-16(13-20)8-6-15;1-26-7-5-24(6-8-27-2)17-10-16(19-12-20-17)18(25)22-14-3-4-15-13(9-14)11-21-23-15/h11-15,19,21,23,29H,4-10,16-18H2,1-3H3,(H,32,35);7-9,11-12,14-15,18H,3-6,10,13H2,1-2H3,(H,25,26);7-10,12,14H,3-6,11H2,1-2H3,(H,23,25)(H,24,27);5-8,12,14H,3-4,9-11,13,20H2,1-2H3;3-4,9-12H,5-8H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyIFLWFCPAPOEOQU-UHFFFAOYSA-N
MW1932.45 g/mol
LogP17.12
Rot. Bonds42

About 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide

2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide (PubChem CID 158683769) has the molecular formula C107H138N26O9 and a molecular weight of 1932.45 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
PubChem CID158683769
Molecular FormulaC107H138N26O9
Molecular Weight1932.45 g/mol
Exact Mass1931.11
IUPAC Name2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide
SMILESCC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CC(C)CN(c1cc(C(=O)Cc2ccc3[nH]ncc3c2)ncn1)C1CCCC1.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Cc2ccc(CN)cc2)ncn1.COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1
InChIInChI=1S/C28H39N5O3.C22H27N5O.C20H24N6O.C19H26N4O.C18H22N6O3/c1-28(2,3)36-26(34)17-29-16-20-11-13-22(14-12-20)32-27(35)24-15-25(31-19-30-24)33(18-21-9-10-21)23-7-5-4-6-8-23;1-15(2)13-27(18-5-3-4-6-18)22-11-20(23-14-24-22)21(28)10-16-7-8-19-17(9-16)12-25-26-19;1-3-6-26(11-14-4-5-14)19-9-18(21-12-22-19)20(27)24-16-8-15-10-23-25-17(15)7-13(16)2;1-3-9-23(10-4-2)19-12-17(21-14-22-19)18(24)11-15-5-7-16(13-20)8-6-15;1-26-7-5-24(6-8-27-2)17-10-16(19-12-20-17)18(25)22-14-3-4-15-13(9-14)11-21-23-15/h11-15,19,21,23,29H,4-10,16-18H2,1-3H3,(H,32,35);7-9,11-12,14-15,18H,3-6,10,13H2,1-2H3,(H,25,26);7-10,12,14H,3-6,11H2,1-2H3,(H,23,25)(H,24,27);5-8,12,14H,3-4,9-11,13,20H2,1-2H3;3-4,9-12H,5-8H2,1-2H3,(H,21,23)(H,22,25)
InChIKeyIFLWFCPAPOEOQU-UHFFFAOYSA-N
XLogP17.12
TPSA435.39 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds42
Heavy Atoms142
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001932.45
LogP ≤ 517.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide (CID 158683769) is 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide is CC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CC(C)CN(c1cc(C(=O)Cc2ccc3[nH]ncc3c2)ncn1)C1CCCC1.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cn[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Cc2ccc(CN)cc2)ncn1.COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
The InChIKey is IFLWFCPAPOEOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3.C22H27N5O.C20H24N6O.C19H26N4O.C18H22N6O3/c1-28(2,3)36-26(34)17-29-16-20-11-13-22(14-12-20)32-27(35)24-15-25(31-19-30-24)33(18-21-9-10-21)23-7-5-4-6-8-23;1-15(2)13-27(18-5-3-4-6-18)22-11-20(23-14-24-22)21(28)10-16-7-8-19-17(9-16)12-25-26-19;1-3-6-26(11-14-4-5-14)19-9-18(21-12-22-19)20(27)24-16-8-15-10-23-25-17(15)7-13(16)2;1-3-9-23(10-4-2)19-12-17(21-14-22-19)18(24)11-15-5-7-16(13-20)8-6-15;1-26-7-5-24(6-8-27-2)17-10-16(19-12-20-17)18(25)22-14-3-4-15-13(9-14)11-21-23-15/h11-15,19,21,23,29H,4-10,16-18H2,1-3H3,(H,32,35);7-9,11-12,14-15,18H,3-6,10,13H2,1-2H3,(H,25,26);7-10,12,14H,3-6,11H2,1-2H3,(H,23,25)(H,24,27);5-8,12,14H,3-4,9-11,13,20H2,1-2H3;3-4,9-12H,5-8H2,1-2H3,(H,21,23)(H,22,25).
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide?
2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide has a molecular weight of 1932.45 g/mol, XLogP of 17.12, 42 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-1-[6-(dipropylamino)pyrimidin-4-yl]ethanone;6-[bis(2-methoxyethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;1-[6-[cyclopentyl(2-methylpropyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indazol-5-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 158683769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).