2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

C20H28N4O — CID 109312894

IUPAC2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-5-13-24(14-6-2)20-21-12-11-18(23-20)19(25)22-17-9-7-16(8-10-17)15(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,22,25)
InChIKeyBAXLAUAWKZYHPT-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.48
Rot. Bonds8

About 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109312894) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109312894
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C20H28N4O/c1-5-13-24(14-6-2)20-21-12-11-18(23-20)19(25)22-17-9-7-16(8-10-17)15(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,22,25)
InChIKeyBAXLAUAWKZYHPT-UHFFFAOYSA-N
XLogP4.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109310729
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312928
ethyl 4-[[2-(dipropylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109312955
2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312897
2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109312235
2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-(dipropylamino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109312892
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109312912
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
5-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109288370

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109312894) is 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is CCCN(CCC)c1nccc(C(=O)Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is BAXLAUAWKZYHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-13-24(14-6-2)20-21-12-11-18(23-20)19(25)22-17-9-7-16(8-10-17)15(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,22,25).
What are the key properties of 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).