6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

C19H26N4O2 — CID 109370437

IUPAC6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C19H26N4O2/c1-5-6-11-23(3)18-12-17(21-14(2)22-18)19(24)20-13-15-7-9-16(25-4)10-8-15/h7-10,12H,5-6,11,13H2,1-4H3,(H,20,24)
InChIKeyIVUYRGBUYAJBLD-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.96
Rot. Bonds8

About 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide

6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109370437) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109370437
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)NCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C19H26N4O2/c1-5-6-11-23(3)18-12-17(21-14(2)22-18)19(24)20-13-15-7-9-16(25-4)10-8-15/h7-10,12H,5-6,11,13H2,1-4H3,(H,20,24)
InChIKeyIVUYRGBUYAJBLD-UHFFFAOYSA-N
XLogP2.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[butyl(methyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109372834
6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370431
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371833
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
6-[butyl(methyl)amino]-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347424
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369048
N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109370147
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
CID 112846981
6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
CID 109373972
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846999

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide (CID 109370437) is 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)NCc2ccc(OC)cc2)nc(C)n1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is IVUYRGBUYAJBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-6-11-23(3)18-12-17(21-14(2)22-18)19(24)20-13-15-7-9-16(25-4)10-8-15/h7-10,12H,5-6,11,13H2,1-4H3,(H,20,24).
What are the key properties of 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).