4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine

C17H19ClN4 — CID 171327094

IUPAC4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine
SMILESClc1ccccc1N1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C17H19ClN4/c18-14-3-1-2-4-15(14)21-9-11-22(12-10-21)16-7-8-19-17(20-16)13-5-6-13/h1-4,7-8,13H,5-6,9-12H2
InChIKeyXFAPOIXMWAJAMH-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.33
Rot. Bonds3

About 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine

4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine (PubChem CID 171327094) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine
PubChem CID171327094
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine
SMILESClc1ccccc1N1CCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C17H19ClN4/c18-14-3-1-2-4-15(14)21-9-11-22(12-10-21)16-7-8-19-17(20-16)13-5-6-13/h1-4,7-8,13H,5-6,9-12H2
InChIKeyXFAPOIXMWAJAMH-UHFFFAOYSA-N
XLogP3.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
4-chloro-5-[4-(2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 171998702
2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 163356852
2-cyclobutyl-4-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893632
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133298967
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine
CID 60673897
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308
(3-chlorophenyl)-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133298621
2-cyclopropyl-4-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133300278
5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328258
2-cyclopropyl-4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]pyrimidine
CID 133339988
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
CID 133298683

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine (CID 171327094) is 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine is Clc1ccccc1N1CCN(c2ccnc(C3CC3)n2)CC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine?
The InChIKey is XFAPOIXMWAJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c18-14-3-1-2-4-15(14)21-9-11-22(12-10-21)16-7-8-19-17(20-16)13-5-6-13/h1-4,7-8,13H,5-6,9-12H2.
What are the key properties of 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine?
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine has a molecular weight of 314.82 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine is sourced from PubChem (CID 171327094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).