6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C18H24N4O — CID 109369048

IUPAC6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)17-11-16(20-14(4)21-17)18(23)19-12-15-9-7-13(3)8-10-15/h7-11H,5-6,12H2,1-4H3,(H,19,23)
InChIKeyQDAFCLQKFARGRL-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.87
Rot. Bonds6

About 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109369048) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109369048
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)NCc2ccc(C)cc2)nc(C)n1
InChIInChI=1S/C18H24N4O/c1-5-22(6-2)17-11-16(20-14(4)21-17)18(23)19-12-15-9-7-13(3)8-10-15/h7-11H,5-6,12H2,1-4H3,(H,19,23)
InChIKeyQDAFCLQKFARGRL-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(diethylamino)-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370431
6-(diethylamino)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370286
2-methyl-N-[(4-methylphenyl)methyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109360003
6-(cyclopropylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109360790
6-[benzyl(ethyl)amino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360211
N-[2-(3-chlorophenyl)ethyl]-6-(diethylamino)-2-methylpyrimidine-4-carboxamide
CID 109373286
6-[benzyl(ethyl)amino]-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109370607
6-[butyl(methyl)amino]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109370437
6-(2-methoxyethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364634
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109367168
6-[benzyl(ethyl)amino]-N-butyl-2-methylpyrimidine-4-carboxamide
CID 109361770

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109369048) is 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)NCc2ccc(C)cc2)nc(C)n1.
What is the InChIKey of 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is QDAFCLQKFARGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-22(6-2)17-11-16(20-14(4)21-17)18(23)19-12-15-9-7-13(3)8-10-15/h7-11H,5-6,12H2,1-4H3,(H,19,23).
What are the key properties of 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109369048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).