N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C19H25N5O — CID 109325780

IUPACN-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H25N5O/c1-4-15-5-7-16(8-6-15)21-18(25)17-13-14(2)20-19(22-17)24-11-9-23(3)10-12-24/h5-8,13H,4,9-12H2,1-3H3,(H,21,25)
InChIKeyRIMOKGDRNCZVBZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.35
Rot. Bonds4

About N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109325780) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109325780
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(N3CCN(C)CC3)n2)cc1
InChIInChI=1S/C19H25N5O/c1-4-15-5-7-16(8-6-15)21-18(25)17-13-14(2)20-19(22-17)24-11-9-23(3)10-12-24/h5-8,13H,4,9-12H2,1-3H3,(H,21,25)
InChIKeyRIMOKGDRNCZVBZ-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323021
6-methyl-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109325784
N-(3,4-difluorophenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325855
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326101
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326121
ethyl 2-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109325848
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109320621
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325856

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109325780) is N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(C)nc(N3CCN(C)CC3)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is RIMOKGDRNCZVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-4-15-5-7-16(8-6-15)21-18(25)17-13-14(2)20-19(22-17)24-11-9-23(3)10-12-24/h5-8,13H,4,9-12H2,1-3H3,(H,21,25).
What are the key properties of N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109325780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).