2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide

C21H30N4O — CID 109312897

IUPAC2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C21H30N4O/c1-6-13-25(14-7-2)21-22-12-11-18(23-21)20(26)24-19-16(5)9-8-10-17(19)15(3)4/h8-12,15H,6-7,13-14H2,1-5H3,(H,24,26)
InChIKeyFPCCHEWASRYLAX-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.79
Rot. Bonds8

About 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109312897) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109312897
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C21H30N4O/c1-6-13-25(14-7-2)21-22-12-11-18(23-21)20(26)24-19-16(5)9-8-10-17(19)15(3)4/h8-12,15H,6-7,13-14H2,1-5H3,(H,24,26)
InChIKeyFPCCHEWASRYLAX-UHFFFAOYSA-N
XLogP4.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109312892
2-(N-methylanilino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314201
2-(butylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109296413
2-(diethylamino)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109332241
2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312894
5-(diethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194754
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417
5-(diethylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109286891
2-[(4-fluorophenyl)methylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305558
6-fluoro-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 115496693
4-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109207358
2-N,5-N-bis(2-methyl-6-propan-2-ylphenyl)pyridine-2,5-dicarboxamide
CID 1312773

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109312897) is 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is CCCN(CCC)c1nccc(C(=O)Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is FPCCHEWASRYLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-6-13-25(14-7-2)21-22-12-11-18(23-21)20(26)24-19-16(5)9-8-10-17(19)15(3)4/h8-12,15H,6-7,13-14H2,1-5H3,(H,24,26).
What are the key properties of 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).