N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide

C19H24ClN5O — CID 20959576

IUPACN-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)n2)CC1
InChIInChI=1S/C19H24ClN5O/c1-4-24-7-9-25(10-8-24)19-21-12-16(14(3)22-19)18(26)23-15-6-5-13(2)17(20)11-15/h5-6,11-12H,4,7-10H2,1-3H3,(H,23,26)
InChIKeyQHVGJVLPPBFEPS-UHFFFAOYSA-N
MW373.89 g/mol
LogP3.14
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide

N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide (PubChem CID 20959576) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
PubChem CID20959576
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)n2)CC1
InChIInChI=1S/C19H24ClN5O/c1-4-24-7-9-25(10-8-24)19-21-12-16(14(3)22-19)18(26)23-15-6-5-13(2)17(20)11-15/h5-6,11-12H,4,7-10H2,1-3H3,(H,23,26)
InChIKeyQHVGJVLPPBFEPS-UHFFFAOYSA-N
XLogP3.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504096
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504102
2-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 66504041
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504126
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
N-(3,4-difluorophenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
N-(3-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345557
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109254821
4-methyl-2-(4-methylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504141
N-(4-chlorophenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504083

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide (CID 20959576) is N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide is CCN1CCN(c2ncc(C(=O)Nc3ccc(C)c(Cl)c3)c(C)n2)CC1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is QHVGJVLPPBFEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-4-24-7-9-25(10-8-24)19-21-12-16(14(3)22-19)18(26)23-15-6-5-13(2)17(20)11-15/h5-6,11-12H,4,7-10H2,1-3H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide?
N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).