6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate

C114H150N24O11 — CID 159485706

IUPAC6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate
SMILESCC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)OC.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cc[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Nc2ccc(CC)cc2)ncn1.COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C28H39N5O3.C27H37N5O3.C21H25N5O.C19H23N5O3.C19H26N4O/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;1-3-23(27(34)35-2)28-16-19-11-13-21(14-12-19)31-26(33)24-15-25(30-18-29-24)32(17-20-9-10-20)22-7-5-4-6-8-22;1-3-8-26(12-15-4-5-15)20-11-19(23-13-24-20)21(27)25-17-10-16-6-7-22-18(16)9-14(17)2;1-26-9-7-24(8-10-27-2)18-12-17(21-13-22-18)19(25)23-15-3-4-16-14(11-15)5-6-20-16;1-4-11-23(12-5-2)18-13-17(20-14-21-18)19(24)22-16-9-7-15(6-3)8-10-16/h11-15,19,21,23,29H,4-10,16-18H2,1-3H3,(H,32,35);11-15,18,20,22-23,28H,3-10,16-17H2,1-2H3,(H,31,33);6-7,9-11,13,15,22H,3-5,8,12H2,1-2H3,(H,25,27);3-6,11-13,20H,7-10H2,1-2H3,(H,23,25);7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeyLXNXBXWLEWSBGE-UHFFFAOYSA-N
MW2032.61 g/mol
LogP19.40
Rot. Bonds45

About 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate

6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate (PubChem CID 159485706) has the molecular formula C114H150N24O11 and a molecular weight of 2032.61 g/mol. Its IUPAC name is 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate.

Molecular Properties

Compound Name6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate
PubChem CID159485706
Molecular FormulaC114H150N24O11
Molecular Weight2032.61 g/mol
Exact Mass2031.19
IUPAC Name6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate
SMILESCC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)OC.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cc[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Nc2ccc(CC)cc2)ncn1.COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C28H39N5O3.C27H37N5O3.C21H25N5O.C19H23N5O3.C19H26N4O/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;1-3-23(27(34)35-2)28-16-19-11-13-21(14-12-19)31-26(33)24-15-25(30-18-29-24)32(17-20-9-10-20)22-7-5-4-6-8-22;1-3-8-26(12-15-4-5-15)20-11-19(23-13-24-20)21(27)25-17-10-16-6-7-22-18(16)9-14(17)2;1-26-9-7-24(8-10-27-2)18-12-17(21-13-22-18)19(25)23-15-3-4-16-14(11-15)5-6-20-16;1-4-11-23(12-5-2)18-13-17(20-14-21-18)19(24)22-16-9-7-15(6-3)8-10-16/h11-15,19,21,23,29H,4-10,16-18H2,1-3H3,(H,32,35);11-15,18,20,22-23,28H,3-10,16-17H2,1-2H3,(H,31,33);6-7,9-11,13,15,22H,3-5,8,12H2,1-2H3,(H,25,27);3-6,11-13,20H,7-10H2,1-2H3,(H,23,25);7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24)
InChIKeyLXNXBXWLEWSBGE-UHFFFAOYSA-N
XLogP19.40
TPSA417.30 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds45
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002032.61
LogP ≤ 519.40
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate with MolForge

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Related Compounds

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CID 154988919
N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 11684932
N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 59258622
N-(3-ethyl-1H-indol-5-yl)-6-(4-methylpiperidin-1-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258668
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258697
6-[(3S)-3-acetamidopyrrolidin-1-yl]-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258725
6-(3-acetamidopyrrolidin-1-yl)-N-(3-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 68512775
methyl 2-[[6-[methyl-(3-methyl-1H-indol-5-yl)carbamoyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]acetate
CID 68513037
N-(3-methoxypropyl)-N-methyl-5-[[4-[6-[2-[[2-[methyl(oxan-4-ylmethyl)carbamoyl]-1H-indol-5-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 123676750
5-[[4-[5-[2-[[2-[methyl(3-morpholin-4-ylpropyl)carbamoyl]-1H-indol-5-yl]amino]-4-pyridin-2-ylpyrimidin-1-ium-1-yl]-2-pyridinyl]pyrimidin-2-yl]amino]-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 123823704
N-cyclopropyl-6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyridine-2-carboxamide;N-(cyclopropylmethyl)-6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]pyridine-2-carboxamide;6-[3,3-dimethyl-6-(2-methylpyrimidin-5-yl)-2-oxoindol-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 129104106
N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-4-[2-[2-(dibutylamino)ethylamino]pyrimidin-4-yl]benzamide;N-[2-(3-carbamimidoyl-1H-indol-5-yl)ethyl]-4-[2-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]benzamide
CID 136460835

Frequently Asked Questions

What is the IUPAC name of 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate?
The IUPAC name of 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate (CID 159485706) is 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate.
What is the SMILES notation for 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate?
The canonical SMILES for 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate is CC(C)(C)OC(=O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CCC(NCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1)C(=O)OC.CCCN(CC1CC1)c1cc(C(=O)Nc2cc3cc[nH]c3cc2C)ncn1.CCCN(CCC)c1cc(C(=O)Nc2ccc(CC)cc2)ncn1.COCCN(CCOC)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1.
What is the InChIKey of 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate?
The InChIKey is LXNXBXWLEWSBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O3.C27H37N5O3.C21H25N5O.C19H23N5O3.C19H26N4O/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;1-3-23(27(34)35-2)28-16-19-11-13-21(14-12-19)31-26(33)24-15-25(30-18-29-24)32(17-20-9-10-20)22-7-5-4-6-8-22;1-3-8-26(12-15-4-5-15)20-11-19(23-13-24-20)21(27)25-17-10-16-6-7-22-18(16)9-14(17)2;1-26-9-7-24(8-10-27-2)18-12-17(21-13-22-18)19(25)23-15-3-4-16-14(11-15)5-6-20-16;1-4-11-23(12-5-2)18-13-17(20-14-21-18)19(24)22-16-9-7-15(6-3)8-10-16/h11-15,19,21,23,29H,4-10,16-18H2,1-3H3,(H,32,35);11-15,18,20,22-23,28H,3-10,16-17H2,1-2H3,(H,31,33);6-7,9-11,13,15,22H,3-5,8,12H2,1-2H3,(H,25,27);3-6,11-13,20H,7-10H2,1-2H3,(H,23,25);7-10,13-14H,4-6,11-12H2,1-3H3,(H,22,24).
What are the key properties of 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate?
6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate has a molecular weight of 2032.61 g/mol, XLogP of 19.40, 45 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;tert-butyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]acetate;6-[cyclopropylmethyl(propyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-(dipropylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide;methyl 2-[[4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylamino]butanoate is sourced from PubChem (CID 159485706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).