6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

C21H30N4O — CID 109334224

IUPAC6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C21H30N4O/c1-7-9-25(10-8-2)20(26)18-13-17(6)22-21(23-18)24-19-15(4)11-14(3)12-16(19)5/h11-13H,7-10H2,1-6H3,(H,22,23,24)
InChIKeyZFLGCCVHKNCUHF-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.72
Rot. Bonds7

About 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide

6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (PubChem CID 109334224) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
PubChem CID109334224
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(C)nc(Nc2c(C)cc(C)cc2C)n1
InChIInChI=1S/C21H30N4O/c1-7-9-25(10-8-2)20(26)18-13-17(6)22-21(23-18)24-19-15(4)11-14(3)12-16(19)5/h11-13H,7-10H2,1-6H3,(H,22,23,24)
InChIKeyZFLGCCVHKNCUHF-UHFFFAOYSA-N
XLogP4.72
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109313001
2-(5-chloro-2-methylanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109334233
N-[3-(dimethylamino)propyl]-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109325631
6-methyl-2-[(4-methylphenyl)methylamino]-N,N-dipropylpyrimidine-4-carboxamide
CID 109327813
2-(cyclopentylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109321987
2-(cycloheptylamino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109332852
N-ethyl-2-(ethylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 114220233
methyl 2-[[4-(dipropylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109334259
2-(3-cyanoanilino)-6-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 109334286
N-(3-methoxypropyl)-6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109324113
6-methyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carbothioamide
CID 107546191
6-methyl-N-(4-methylphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109335147

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide (CID 109334224) is 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1cc(C)nc(Nc2c(C)cc(C)cc2C)n1.
What is the InChIKey of 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
The InChIKey is ZFLGCCVHKNCUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-7-9-25(10-8-2)20(26)18-13-17(6)22-21(23-18)24-19-15(4)11-14(3)12-16(19)5/h11-13H,7-10H2,1-6H3,(H,22,23,24).
What are the key properties of 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide?
6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109334224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).