N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide

C18H24N4O — CID 109318967

IUPACN-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2c(C)cccc2CC)n1
InChIInChI=1S/C18H24N4O/c1-5-10-19-18-20-13(4)11-15(21-18)17(23)22-16-12(3)8-7-9-14(16)6-2/h7-9,11H,5-6,10H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyKAKNAIXKOBWGAN-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.73
Rot. Bonds6

About N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109318967) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
PubChem CID109318967
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1nc(C)cc(C(=O)Nc2c(C)cccc2CC)n1
InChIInChI=1S/C18H24N4O/c1-5-10-19-18-20-13(4)11-15(21-18)17(23)22-16-12(3)8-7-9-14(16)6-2/h7-9,11H,5-6,10H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyKAKNAIXKOBWGAN-UHFFFAOYSA-N
XLogP3.73
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylamino)-N-(2,6-diethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109320523
N-(2-ethyl-6-methylphenyl)-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328470
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330696
2-(4-acetylanilino)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336478
N-(3,4-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318960
N-(2,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318959
N-(3-bromo-4-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318989
N-(2,6-dimethylphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327827
N-(2-ethyl-6-methylphenyl)-2-(2-methoxy-5-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336476
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
N-(3,5-dimethylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318961
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334362

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide (CID 109318967) is N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide is CCCNc1nc(C)cc(C(=O)Nc2c(C)cccc2CC)n1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is KAKNAIXKOBWGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-10-19-18-20-13(4)11-15(21-18)17(23)22-16-12(3)8-7-9-14(16)6-2/h7-9,11H,5-6,10H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109318967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).