N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide

C19H24ClN5O — CID 109367173

IUPACN-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NCc3ccccc3Cl)nc(C)n2)CC1
InChIInChI=1S/C19H24ClN5O/c1-3-24-8-10-25(11-9-24)18-12-17(22-14(2)23-18)19(26)21-13-15-6-4-5-7-16(15)20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,26)
InChIKeyBROXOKBWLPTACX-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.51
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109367173) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID109367173
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC NameN-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NCc3ccccc3Cl)nc(C)n2)CC1
InChIInChI=1S/C19H24ClN5O/c1-3-24-8-10-25(11-9-24)18-12-17(22-14(2)23-18)19(26)21-13-15-6-4-5-7-16(15)20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,26)
InChIKeyBROXOKBWLPTACX-UHFFFAOYSA-N
XLogP2.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylpiperazin-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109367168
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644
6-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369680
N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753
2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345
6-(4-ethylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360588
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365167
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
N-(2,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367223
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
6-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109367760

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide (CID 109367173) is N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide is CCN1CCN(c2cc(C(=O)NCc3ccccc3Cl)nc(C)n2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is BROXOKBWLPTACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-3-24-8-10-25(11-9-24)18-12-17(22-14(2)23-18)19(26)21-13-15-6-4-5-7-16(15)20/h4-7,12H,3,8-11,13H2,1-2H3,(H,21,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 373.89 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109367173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).