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

C19H27N5O — CID 112846981

IUPAC6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(C)n1
InChIInChI=1S/C19H27N5O/c1-6-7-12-24(5)18-13-17(20-14(2)21-18)19(25)22-15-8-10-16(11-9-15)23(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,22,25)
InChIKeyMBKHASGGRPJWPY-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.34
Rot. Bonds7

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

6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 112846981) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
PubChem CID112846981
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)c1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(C)n1
InChIInChI=1S/C19H27N5O/c1-6-7-12-24(5)18-13-17(20-14(2)21-18)19(25)22-15-8-10-16(11-9-15)23(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,22,25)
InChIKeyMBKHASGGRPJWPY-UHFFFAOYSA-N
XLogP3.34
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[butyl(methyl)amino]-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 112846922
6-[butyl(methyl)amino]-N-(2,4-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112846999
N-[4-(dimethylamino)phenyl]-2-methyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109360129
N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847506
6-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112846968
6-[butyl(methyl)amino]-2-methyl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 112846997
6-(dipropylamino)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847511
6-[butyl(methyl)amino]-N-cycloheptyl-2-methylpyrimidine-4-carboxamide
CID 109373972
N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372286
6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370437
6-[benzyl(methyl)amino]-N-(4-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109369386
6-[butyl(methyl)amino]-2-methyl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 112846986

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide (CID 112846981) is 6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide is CCCCN(C)c1cc(C(=O)Nc2ccc(N(C)C)cc2)nc(C)n1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is MBKHASGGRPJWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-6-7-12-24(5)18-13-17(20-14(2)21-18)19(25)22-15-8-10-16(11-9-15)23(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,22,25).
What are the key properties of 6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide?
6-[butyl(methyl)amino]-N-[4-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.34, 7 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-(dimethylamino)phenyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 112846981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).