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

C18H24N4O — CID 109310729

IUPAC2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)18-19-12-11-16(21-18)17(23)20-15-9-7-14(8-10-15)13(3)4/h7-13H,5-6H2,1-4H3,(H,20,23)
InChIKeyIEOFQXQHRAGHKQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.70
Rot. Bonds6

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

2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109310729) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109310729
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nccc(C(=O)Nc2ccc(C(C)C)cc2)n1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)18-19-12-11-16(21-18)17(23)20-15-9-7-14(8-10-15)13(3)4/h7-13H,5-6H2,1-4H3,(H,20,23)
InChIKeyIEOFQXQHRAGHKQ-UHFFFAOYSA-N
XLogP3.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dipropylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109312894
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
N-(2,6-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
CID 109310804
2-(diethylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidine-4-carboxamide
CID 109310790
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987
6-(diethylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109124305
2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310751
N-[(4-chlorophenyl)methyl]-2-(diethylamino)pyrimidine-4-carboxamide
CID 109306052
2-(dipropylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312928
2-(3-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316131

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109310729) is 2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is CCN(CC)c1nccc(C(=O)Nc2ccc(C(C)C)cc2)n1.
What is the InChIKey of 2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is IEOFQXQHRAGHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-22(6-2)18-19-12-11-16(21-18)17(23)20-15-9-7-14(8-10-15)13(3)4/h7-13H,5-6H2,1-4H3,(H,20,23).
What are the key properties of 2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109310729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).