N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide

C21H30N4O — CID 112847051

IUPACN-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(C(C)(C)C)cc2)nc(C)n1
InChIInChI=1S/C21H30N4O/c1-7-8-13-25(6)20(26)18-14-19(23-15(2)22-18)24-17-11-9-16(10-12-17)21(3,4)5/h9-12,14H,7-8,13H2,1-6H3,(H,22,23,24)
InChIKeyBTKASYDVCYMNKA-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.70
Rot. Bonds6

About N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide

N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide (PubChem CID 112847051) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
PubChem CID112847051
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(C(C)(C)C)cc2)nc(C)n1
InChIInChI=1S/C21H30N4O/c1-7-8-13-25(6)20(26)18-14-19(23-15(2)22-18)24-17-11-9-16(10-12-17)21(3,4)5/h9-12,14H,7-8,13H2,1-6H3,(H,22,23,24)
InChIKeyBTKASYDVCYMNKA-UHFFFAOYSA-N
XLogP4.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.70
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-N,2-dimethyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 112847031
N-butyl-N,2-dimethyl-6-(pentylamino)pyrimidine-4-carboxamide
CID 112846701
6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848571
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-[2-(4-fluorophenyl)ethylamino]-N,2-dimethylpyrimidine-4-carboxamide
CID 109371892
N-butyl-6-(2-methoxy-5-methylanilino)-N,2-dimethylpyrimidine-4-carboxamide
CID 112847072
methyl 2-[[6-[butyl(methyl)carbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 112847085
6-N-butyl-4-N-(4-tert-butylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112867942
2-methyl-6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847563

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide (CID 112847051) is N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide is CCCCN(C)C(=O)c1cc(Nc2ccc(C(C)(C)C)cc2)nc(C)n1.
What is the InChIKey of N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide?
The InChIKey is BTKASYDVCYMNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-7-8-13-25(6)20(26)18-14-19(23-15(2)22-18)24-17-11-9-16(10-12-17)21(3,4)5/h9-12,14H,7-8,13H2,1-6H3,(H,22,23,24).
What are the key properties of N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide?
N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(4-tert-butylanilino)-N,2-dimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 112847051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).