2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide

C16H20N4O — CID 58872642

IUPAC2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H20N4O/c1-4-20(5-2)16-18-13(10-14(19-16)15(17)21)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,17,21)
InChIKeyJBKYNMQKBBKRFS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.40
Rot. Bonds5

About 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide

2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 58872642) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID58872642
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H20N4O/c1-4-20(5-2)16-18-13(10-14(19-16)15(17)21)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,17,21)
InChIKeyJBKYNMQKBBKRFS-UHFFFAOYSA-N
XLogP2.40
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dichlorophenyl)-2-(diethylamino)pyrimidine-4-carboxamide
CID 67140644
2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 58872668
2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide
CID 15604467
2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 159636537
2-[bis(3-methylbutyl)amino]-6-phenylpyrimidine-4-carboxamide
CID 15603891
6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide
CID 144793661
2-(N-ethyl-3-methylanilino)-N'-hydroxypyrimidine-4-carboximidamide
CID 136906468
6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide
CID 69174880
4,6-bis(3-methylphenyl)pyrimidin-2-amine
CID 75360131
N,N-diethyl-4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 62251410
ethyl 2-ethyl-6-(3-methylphenyl)pyridine-3-carboxylate
CID 116532844
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
CID 13292301

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide (CID 58872642) is 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide is CCN(CC)c1nc(C(N)=O)cc(-c2cccc(C)c2)n1.
What is the InChIKey of 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is JBKYNMQKBBKRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-20(5-2)16-18-13(10-14(19-16)15(17)21)12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3,(H2,17,21).
What are the key properties of 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide?
2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 58872642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).