N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C17H20ClN5O — CID 109302036

IUPACN-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCN1CCN(c2nccc(C(=O)NCc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H20ClN5O/c1-22-8-10-23(11-9-22)17-19-7-6-15(21-17)16(24)20-12-13-2-4-14(18)5-3-13/h2-7H,8-12H2,1H3,(H,20,24)
InChIKeySLSUUKUKYGTCAB-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.81
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109302036) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109302036
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCN1CCN(c2nccc(C(=O)NCc3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C17H20ClN5O/c1-22-8-10-23(11-9-22)17-19-7-6-15(21-17)16(24)20-12-13-2-4-14(18)5-3-13/h2-7H,8-12H2,1H3,(H,20,24)
InChIKeySLSUUKUKYGTCAB-UHFFFAOYSA-N
XLogP1.81
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-4-carboxamide
CID 109303008
2-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109302376
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109302990
4-[[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]methyl]benzoic acid
CID 119353448
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298248
2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305661
N-[2-(dimethylamino)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109301230
N-[(4-methylphenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298970
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109298973
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-[2-(2-fluorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302046

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109302036) is N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is CN1CCN(c2nccc(C(=O)NCc3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is SLSUUKUKYGTCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-22-8-10-23(11-9-22)17-19-7-6-15(21-17)16(24)20-12-13-2-4-14(18)5-3-13/h2-7H,8-12H2,1H3,(H,20,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109302036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).