6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C21H30N4O — CID 112846418

IUPAC6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCCC(C)C)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C21H30N4O/c1-15(2)11-12-22-21(26)19-13-20(24-17(5)23-19)25(16(3)4)14-18-9-7-6-8-10-18/h6-10,13,15-16H,11-12,14H2,1-5H3,(H,22,26)
InChIKeyVZSZJSDYFNUDSM-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.98
Rot. Bonds8

About 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 112846418) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID112846418
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCCC(C)C)cc(N(Cc2ccccc2)C(C)C)n1
InChIInChI=1S/C21H30N4O/c1-15(2)11-12-22-21(26)19-13-20(24-17(5)23-19)25(16(3)4)14-18-9-7-6-8-10-18/h6-10,13,15-16H,11-12,14H2,1-5H3,(H,22,26)
InChIKeyVZSZJSDYFNUDSM-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]-2-methylpyrimidine-4-carboxamide
CID 109366753
6-[benzyl(propan-2-yl)amino]-N-(3-chlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846435
6-[benzyl(propan-2-yl)amino]-N-(2-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846437
6-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846438
[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362945
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770
4-N-benzyl-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80754444
2-[benzyl(propan-2-yl)amino]-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321059
2-[[6-[benzyl(propan-2-yl)amino]-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194876
2-[benzyl(propan-2-yl)amino]-N-(3-methoxypropyl)-6-methylpyrimidine-4-carboxamide
CID 109324083
4-N-benzyl-6-N-butyl-2-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112867908

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 112846418) is 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1nc(C(=O)NCCC(C)C)cc(N(Cc2ccccc2)C(C)C)n1.
What is the InChIKey of 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is VZSZJSDYFNUDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-15(2)11-12-22-21(26)19-13-20(24-17(5)23-19)25(16(3)4)14-18-9-7-6-8-10-18/h6-10,13,15-16H,11-12,14H2,1-5H3,(H,22,26).
What are the key properties of 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(propan-2-yl)amino]-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).