N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide

C18H24N4O — CID 109361834

IUPACN-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2c(C)cccc2C)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-6-10-19-18(23)15-11-16(21-14(4)20-15)22-17-12(2)8-7-9-13(17)3/h7-9,11H,5-6,10H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyWWCJYARKQRXASV-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.68
Rot. Bonds6

About N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide

N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109361834) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109361834
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2c(C)cccc2C)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-6-10-19-18(23)15-11-16(21-14(4)20-15)22-17-12(2)8-7-9-13(17)3/h7-9,11H,5-6,10H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyWWCJYARKQRXASV-UHFFFAOYSA-N
XLogP3.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368422
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109361864
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846868
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372724
6-(4-fluoroanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846839
6-(4-bromoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846850
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
N-cyclopentyl-6-(2-ethyl-6-methylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363342
6-(2-tert-butylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846836

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 109361834) is N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(Nc2c(C)cccc2C)nc(C)n1.
What is the InChIKey of N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is WWCJYARKQRXASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-6-10-19-18(23)15-11-16(21-14(4)20-15)22-17-12(2)8-7-9-13(17)3/h7-9,11H,5-6,10H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).