6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)

C151H197N31O9 — CID 158430951

IUPAC6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CC)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)C)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCCC3)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCCC3)ncn1.CCc1ccc(NC(=O)c2cc(N(CCOC)CC3CC3)ncn2)cc1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C25H35N5O.C22H31N5O.2C22H28N4O.C20H23N5O2.C20H26N4O2.C20H26N4O/c1-3-11-30(17-20-7-8-20)24-15-23(26-18-27-24)25(31)28-22-10-9-21(14-19(22)2)16-29-12-5-4-6-13-29;1-5-10-27(14-17-6-7-17)21-12-20(23-15-24-21)22(28)25-19-9-8-18(11-16(19)2)13-26(3)4;2*1-2-11-26(14-16-7-8-16)21-13-20(23-15-24-21)22(27)25-19-10-9-17-5-3-4-6-18(17)12-19;1-27-9-8-25(12-14-2-3-14)19-11-18(22-13-23-19)20(26)24-16-4-5-17-15(10-16)6-7-21-17;1-3-15-6-8-17(9-7-15)23-20(25)18-12-19(22-14-21-18)24(10-11-26-2)13-16-4-5-16;1-3-11-24(13-16-5-6-16)19-12-18(21-14-22-19)20(25)23-17-9-7-15(4-2)8-10-17/h9-10,14-15,18,20H,3-8,11-13,16-17H2,1-2H3,(H,28,31);8-9,11-12,15,17H,5-7,10,13-14H2,1-4H3,(H,25,28);2*9-10,12-13,15-16H,2-8,11,14H2,1H3,(H,25,27);4-7,10-11,13-14,21H,2-3,8-9,12H2,1H3,(H,24,26);6-9,12,14,16H,3-5,10-11,13H2,1-2H3,(H,23,25);7-10,12,14,16H,3-6,11,13H2,1-2H3,(H,23,25)
InChIKeyHBQMTBQXKBKUML-UHFFFAOYSA-N
MW2590.44 g/mol
LogP26.99
Rot. Bonds57

About 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)

6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide) (PubChem CID 158430951) has the molecular formula C151H197N31O9 and a molecular weight of 2590.44 g/mol. Its IUPAC name is 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide).

Molecular Properties

Compound Name6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)
PubChem CID158430951
Molecular FormulaC151H197N31O9
Molecular Weight2590.44 g/mol
Exact Mass2588.59
IUPAC Name6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)
SMILESCCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CC)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)C)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCCC3)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCCC3)ncn1.CCc1ccc(NC(=O)c2cc(N(CCOC)CC3CC3)ncn2)cc1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1
InChIInChI=1S/C25H35N5O.C22H31N5O.2C22H28N4O.C20H23N5O2.C20H26N4O2.C20H26N4O/c1-3-11-30(17-20-7-8-20)24-15-23(26-18-27-24)25(31)28-22-10-9-21(14-19(22)2)16-29-12-5-4-6-13-29;1-5-10-27(14-17-6-7-17)21-12-20(23-15-24-21)22(28)25-19-9-8-18(11-16(19)2)13-26(3)4;2*1-2-11-26(14-16-7-8-16)21-13-20(23-15-24-21)22(27)25-19-10-9-17-5-3-4-6-18(17)12-19;1-27-9-8-25(12-14-2-3-14)19-11-18(22-13-23-19)20(26)24-16-4-5-17-15(10-16)6-7-21-17;1-3-15-6-8-17(9-7-15)23-20(25)18-12-19(22-14-21-18)24(10-11-26-2)13-16-4-5-16;1-3-11-24(13-16-5-6-16)19-12-18(21-14-22-19)20(25)23-17-9-7-15(4-2)8-10-17/h9-10,14-15,18,20H,3-8,11-13,16-17H2,1-2H3,(H,28,31);8-9,11-12,15,17H,5-7,10,13-14H2,1-4H3,(H,25,28);2*9-10,12-13,15-16H,2-8,11,14H2,1H3,(H,25,27);4-7,10-11,13-14,21H,2-3,8-9,12H2,1H3,(H,24,26);6-9,12,14,16H,3-5,10-11,13H2,1-2H3,(H,23,25);7-10,12,14,16H,3-6,11,13H2,1-2H3,(H,23,25)
InChIKeyHBQMTBQXKBKUML-UHFFFAOYSA-N
XLogP26.99
TPSA447.57 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds57
Heavy Atoms191
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002590.44
LogP ≤ 526.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)?
The IUPAC name of 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide) (CID 158430951) is 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide).
What is the SMILES notation for 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)?
The canonical SMILES for 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide) is CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CC)cc2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)C)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN3CCCCC3)cc2C)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCCC3)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3c(c2)CCCC3)ncn1.CCc1ccc(NC(=O)c2cc(N(CCOC)CC3CC3)ncn2)cc1.COCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]ccc3c2)ncn1.
What is the InChIKey of 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)?
The InChIKey is HBQMTBQXKBKUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O.C22H31N5O.2C22H28N4O.C20H23N5O2.C20H26N4O2.C20H26N4O/c1-3-11-30(17-20-7-8-20)24-15-23(26-18-27-24)25(31)28-22-10-9-21(14-19(22)2)16-29-12-5-4-6-13-29;1-5-10-27(14-17-6-7-17)21-12-20(23-15-24-21)22(28)25-19-9-8-18(11-16(19)2)13-26(3)4;2*1-2-11-26(14-16-7-8-16)21-13-20(23-15-24-21)22(27)25-19-10-9-17-5-3-4-6-18(17)12-19;1-27-9-8-25(12-14-2-3-14)19-11-18(22-13-23-19)20(26)24-16-4-5-17-15(10-16)6-7-21-17;1-3-15-6-8-17(9-7-15)23-20(25)18-12-19(22-14-21-18)24(10-11-26-2)13-16-4-5-16;1-3-11-24(13-16-5-6-16)19-12-18(21-14-22-19)20(25)23-17-9-7-15(4-2)8-10-17/h9-10,14-15,18,20H,3-8,11-13,16-17H2,1-2H3,(H,28,31);8-9,11-12,15,17H,5-7,10,13-14H2,1-4H3,(H,25,28);2*9-10,12-13,15-16H,2-8,11,14H2,1H3,(H,25,27);4-7,10-11,13-14,21H,2-3,8-9,12H2,1H3,(H,24,26);6-9,12,14,16H,3-5,10-11,13H2,1-2H3,(H,23,25);7-10,12,14,16H,3-6,11,13H2,1-2H3,(H,23,25).
What are the key properties of 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide)?
6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide) has a molecular weight of 2590.44 g/mol, XLogP of 26.99, 57 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(2-methoxyethyl)amino]-N-(1H-indol-5-yl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[4-[(dimethylamino)methyl]-2-methylphenyl]pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(4-ethylphenyl)pyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-[2-methyl-4-(piperidin-1-ylmethyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-4-carboxamide) is sourced from PubChem (CID 158430951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).