(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol

C17H21ClN4O — CID 95314204

IUPAC(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
SMILESCc1nc(Cl)cc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H21ClN4O/c1-13-19-16(18)11-17(20-13)22-9-7-21(8-10-22)12-15(23)14-5-3-2-4-6-14/h2-6,11,15,23H,7-10,12H2,1H3/t15-/m0/s1
InChIKeyRNMRIEKBBJQDIN-HNNXBMFYSA-N
MW332.84 g/mol
LogP2.29
Rot. Bonds4

About (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol

(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol (PubChem CID 95314204) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
PubChem CID95314204
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
SMILESCc1nc(Cl)cc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1
InChIInChI=1S/C17H21ClN4O/c1-13-19-16(18)11-17(20-13)22-9-7-21(8-10-22)12-15(23)14-5-3-2-4-6-14/h2-6,11,15,23H,7-10,12H2,1H3/t15-/m0/s1
InChIKeyRNMRIEKBBJQDIN-HNNXBMFYSA-N
XLogP2.29
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol (CID 95314204) is (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol is Cc1nc(Cl)cc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1.
What is the InChIKey of (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol?
The InChIKey is RNMRIEKBBJQDIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-13-19-16(18)11-17(20-13)22-9-7-21(8-10-22)12-15(23)14-5-3-2-4-6-14/h2-6,11,15,23H,7-10,12H2,1H3/t15-/m0/s1.
What are the key properties of (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol?
(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol has a molecular weight of 332.84 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 95314204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).