2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine

C17H21ClN4 — CID 56766929

IUPAC2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
SMILESCCCc1cc(N2CCNCC2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4/c1-2-4-15-12-16(22-9-7-19-8-10-22)21-17(20-15)13-5-3-6-14(18)11-13/h3,5-6,11-12,19H,2,4,7-10H2,1H3
InChIKeyYVBCMDCLLVZQIW-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.16
Rot. Bonds4

About 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine

2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine (PubChem CID 56766929) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
PubChem CID56766929
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
SMILESCCCc1cc(N2CCNCC2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C17H21ClN4/c1-2-4-15-12-16(22-9-7-19-8-10-22)21-17(20-15)13-5-3-6-14(18)11-13/h3,5-6,11-12,19H,2,4,7-10H2,1H3
InChIKeyYVBCMDCLLVZQIW-UHFFFAOYSA-N
XLogP3.16
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((3R,4S)-4-((6-amino-4-methylpyridin-2-yl)methyl)pyrrolidin-3-yl)-N'-(3-chlorobenzyl)ethane-1,2-diamine
CID 25021186
WR-81844
CID 9570364
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-Chloro-6-methyl-2-phenylpyrimidine
CID 598255
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-(3-Chlorophenyl)-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9974420
5-(3-Chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10060600
5-(3-Chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 13926968
6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CID 73441664
4-N-[(2,4-dichlorophenyl)methyl]-2-N-methyl-6-pyridin-2-ylpyrimidine-2,4-diamine
CID 86277841
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 659917

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine?
The IUPAC name of 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine (CID 56766929) is 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine?
The canonical SMILES for 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine is CCCc1cc(N2CCNCC2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine?
The InChIKey is YVBCMDCLLVZQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-2-4-15-12-16(22-9-7-19-8-10-22)21-17(20-15)13-5-3-6-14(18)11-13/h3,5-6,11-12,19H,2,4,7-10H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine?
2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine has a molecular weight of 316.84 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine is sourced from PubChem (CID 56766929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).