N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C17H22ClN5O2 — CID 6485542

IUPACN-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCCN1CCN(C2=NC(C(=O)Nc3ccc(Cl)cc3)CC(=O)N2)CC1
InChIInChI=1S/C17H22ClN5O2/c1-2-22-7-9-23(10-8-22)17-20-14(11-15(24)21-17)16(25)19-13-5-3-12(18)4-6-13/h3-6,14H,2,7-11H2,1H3,(H,19,25)(H,20,21,24)
InChIKeyZOFBMMQHJKOKTQ-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.16
Rot. Bonds3

About N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 6485542) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
PubChem CID6485542
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC NameN-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
SMILESCCN1CCN(C2=NC(C(=O)Nc3ccc(Cl)cc3)CC(=O)N2)CC1
InChIInChI=1S/C17H22ClN5O2/c1-2-22-7-9-23(10-8-22)17-20-14(11-15(24)21-17)16(25)19-13-5-3-12(18)4-6-13/h3-6,14H,2,7-11H2,1H3,(H,19,25)(H,20,21,24)
InChIKeyZOFBMMQHJKOKTQ-UHFFFAOYSA-N
XLogP1.16
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 6485542) is N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is CCN1CCN(C2=NC(C(=O)Nc3ccc(Cl)cc3)CC(=O)N2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
The InChIKey is ZOFBMMQHJKOKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-2-22-7-9-23(10-8-22)17-20-14(11-15(24)21-17)16(25)19-13-5-3-12(18)4-6-13/h3-6,14H,2,7-11H2,1H3,(H,19,25)(H,20,21,24).
What are the key properties of N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?
N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 6485542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).