N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide

C18H24N4O — CID 112847031

IUPACN-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-6-10-22(4)18(23)16-12-17(20-14(3)19-16)21-15-9-7-8-13(2)11-15/h7-9,11-12H,5-6,10H2,1-4H3,(H,19,20,21)
InChIKeyZYIKVJHBKGJGKF-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.71
Rot. Bonds6

About N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide

N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 112847031) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID112847031
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2cccc(C)c2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-6-10-22(4)18(23)16-12-17(20-14(3)19-16)21-15-9-7-8-13(2)11-15/h7-9,11-12H,5-6,10H2,1-4H3,(H,19,20,21)
InChIKeyZYIKVJHBKGJGKF-UHFFFAOYSA-N
XLogP3.71
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-(4-fluoroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847053
N-butyl-6-[4-(diethylamino)anilino]-N,2-dimethylpyrimidine-4-carboxamide
CID 112847090
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847051
N-butyl-N-methyl-2-(3-methylanilino)-1,3-thiazole-4-carboxamide
CID 34421744
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847072
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
methyl 2-[[6-[butyl(methyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112847085
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
6-(benzylamino)-N-butyl-N,2-dimethylpyrimidine-4-carboxamide
CID 109368269
N-butyl-6-(2,5-dichloroanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847113
N-butyl-6-(3-methoxyanilino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112854404

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide (CID 112847031) is N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(Nc2cccc(C)c2)nc(C)n1.
What is the InChIKey of N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is ZYIKVJHBKGJGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-6-10-22(4)18(23)16-12-17(20-14(3)19-16)21-15-9-7-8-13(2)11-15/h7-9,11-12H,5-6,10H2,1-4H3,(H,19,20,21).
What are the key properties of N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112847031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).