6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane

C137H167N29O6 — CID 158582741

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane
SMILESC.C.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1.CCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CN(c1cc(C(=O)Nc2ccnc3ccccc23)ncn1)C1CCCCC1.Cc1cc2[nH]ccc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccc2[nH]ccc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C24H29N5O.C24H27N5O.C23H27N5O.C23H30N4O.C21H23N5O.C20H23N5O.2CH4/c1-16-11-21-18(9-10-25-21)12-20(16)28-24(30)22-13-23(27-15-26-22)29(14-17-7-8-17)19-5-3-2-4-6-19;30-24(28-21-12-13-25-20-9-5-4-8-19(20)21)22-14-23(27-16-26-22)29(15-17-10-11-17)18-6-2-1-3-7-18;29-23(27-18-8-9-20-17(12-18)10-11-24-20)21-13-22(26-15-25-21)28(14-16-6-7-16)19-4-2-1-3-5-19;1-2-17-10-12-19(13-11-17)26-23(28)21-14-22(25-16-24-21)27(15-18-8-9-18)20-6-4-3-5-7-20;1-26(15-7-3-2-4-8-15)20-13-19(23-14-24-20)21(27)25-18-11-12-22-17-10-6-5-9-16(17)18;1-2-9-25(12-14-3-4-14)19-11-18(22-13-23-19)20(26)24-16-5-6-17-15(10-16)7-8-21-17;;/h9-13,15,17,19,25H,2-8,14H2,1H3,(H,28,30);4-5,8-9,12-14,16-18H,1-3,6-7,10-11,15H2,(H,25,28,30);8-13,15-16,19,24H,1-7,14H2,(H,27,29);10-14,16,18,20H,2-9,15H2,1H3,(H,26,28);5-6,9-15H,2-4,7-8H2,1H3,(H,22,25,27);5-8,10-11,13-14,21H,2-4,9,12H2,1H3,(H,24,26);2*1H4
InChIKeyHTLLYDRGXYDCAN-UHFFFAOYSA-N
MW2316.04 g/mol
LogP28.65
Rot. Bonds36

About 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane

6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane (PubChem CID 158582741) has the molecular formula C137H167N29O6 and a molecular weight of 2316.04 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane
PubChem CID158582741
Molecular FormulaC137H167N29O6
Molecular Weight2316.04 g/mol
Exact Mass2314.37
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane
SMILESC.C.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1.CCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CN(c1cc(C(=O)Nc2ccnc3ccccc23)ncn1)C1CCCCC1.Cc1cc2[nH]ccc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccc2[nH]ccc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C24H29N5O.C24H27N5O.C23H27N5O.C23H30N4O.C21H23N5O.C20H23N5O.2CH4/c1-16-11-21-18(9-10-25-21)12-20(16)28-24(30)22-13-23(27-15-26-22)29(14-17-7-8-17)19-5-3-2-4-6-19;30-24(28-21-12-13-25-20-9-5-4-8-19(20)21)22-14-23(27-16-26-22)29(15-17-10-11-17)18-6-2-1-3-7-18;29-23(27-18-8-9-20-17(12-18)10-11-24-20)21-13-22(26-15-25-21)28(14-16-6-7-16)19-4-2-1-3-5-19;1-2-17-10-12-19(13-11-17)26-23(28)21-14-22(25-16-24-21)27(15-18-8-9-18)20-6-4-3-5-7-20;1-26(15-7-3-2-4-8-15)20-13-19(23-14-24-20)21(27)25-18-11-12-22-17-10-6-5-9-16(17)18;1-2-9-25(12-14-3-4-14)19-11-18(22-13-23-19)20(26)24-16-5-6-17-15(10-16)7-8-21-17;;/h9-13,15,17,19,25H,2-8,14H2,1H3,(H,28,30);4-5,8-9,12-14,16-18H,1-3,6-7,10-11,15H2,(H,25,28,30);8-13,15-16,19,24H,1-7,14H2,(H,27,29);10-14,16,18,20H,2-9,15H2,1H3,(H,26,28);5-6,9-15H,2-4,7-8H2,1H3,(H,22,25,27);5-8,10-11,13-14,21H,2-4,9,12H2,1H3,(H,24,26);2*1H4
InChIKeyHTLLYDRGXYDCAN-UHFFFAOYSA-N
XLogP28.65
TPSA421.87 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds36
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002316.04
LogP ≤ 528.65
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane (CID 158582741) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane is C.C.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1.CCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1.CN(c1cc(C(=O)Nc2ccnc3ccccc23)ncn1)C1CCCCC1.Cc1cc2[nH]ccc2cc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccc2[nH]ccc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.O=C(Nc1ccnc2ccccc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane?
The InChIKey is HTLLYDRGXYDCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O.C24H27N5O.C23H27N5O.C23H30N4O.C21H23N5O.C20H23N5O.2CH4/c1-16-11-21-18(9-10-25-21)12-20(16)28-24(30)22-13-23(27-15-26-22)29(14-17-7-8-17)19-5-3-2-4-6-19;30-24(28-21-12-13-25-20-9-5-4-8-19(20)21)22-14-23(27-16-26-22)29(15-17-10-11-17)18-6-2-1-3-7-18;29-23(27-18-8-9-20-17(12-18)10-11-24-20)21-13-22(26-15-25-21)28(14-16-6-7-16)19-4-2-1-3-5-19;1-2-17-10-12-19(13-11-17)26-23(28)21-14-22(25-16-24-21)27(15-18-8-9-18)20-6-4-3-5-7-20;1-26(15-7-3-2-4-8-15)20-13-19(23-14-24-20)21(27)25-18-11-12-22-17-10-6-5-9-16(17)18;1-2-9-25(12-14-3-4-14)19-11-18(22-13-23-19)20(26)24-16-5-6-17-15(10-16)7-8-21-17;;/h9-13,15,17,19,25H,2-8,14H2,1H3,(H,28,30);4-5,8-9,12-14,16-18H,1-3,6-7,10-11,15H2,(H,25,28,30);8-13,15-16,19,24H,1-7,14H2,(H,27,29);10-14,16,18,20H,2-9,15H2,1H3,(H,26,28);5-6,9-15H,2-4,7-8H2,1H3,(H,22,25,27);5-8,10-11,13-14,21H,2-4,9,12H2,1H3,(H,24,26);2*1H4.
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane has a molecular weight of 2316.04 g/mol, XLogP of 28.65, 36 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(6-methyl-1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;methane is sourced from PubChem (CID 158582741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).