N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109354751

IUPACN-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C18H24N4O/c1-5-6-9-22(4)18(23)16-11-17(20-12-19-16)21-15-8-7-13(2)14(3)10-15/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyAASUJQPUIHOIQO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.71
Rot. Bonds6

About N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide

N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide (PubChem CID 109354751) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
PubChem CID109354751
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(C)c(C)c2)ncn1
InChIInChI=1S/C18H24N4O/c1-5-6-9-22(4)18(23)16-11-17(20-12-19-16)21-15-8-7-13(2)14(3)10-15/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,21)
InChIKeyAASUJQPUIHOIQO-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-(3,4-dimethoxyanilino)-N-methylpyrimidine-4-carboxamide
CID 109354790
N-butyl-6-[4-(dimethylamino)anilino]-N-methylpyrimidine-4-carboxamide
CID 109354803
N-butyl-6-(4-ethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354756
N-butyl-6-(2,5-dimethylanilino)-N-methylpyrimidine-4-carboxamide
CID 109354750
N-butyl-2-(3,4-dimethylanilino)-N,6-dimethylpyrimidine-4-carboxamide
CID 109333654
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
6-(3,4-dimethylanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339707
N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide
CID 109125701
N-butyl-6-[2-(4-chlorophenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109352334
6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109351170

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide (CID 109354751) is N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(Nc2ccc(C)c(C)c2)ncn1.
What is the InChIKey of N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide?
The InChIKey is AASUJQPUIHOIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-6-9-22(4)18(23)16-11-17(20-12-19-16)21-15-8-7-13(2)14(3)10-15/h7-8,10-12H,5-6,9H2,1-4H3,(H,19,20,21).
What are the key properties of N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide?
N-butyl-6-(3,4-dimethylanilino)-N-methylpyrimidine-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-6-(3,4-dimethylanilino)-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109354751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).