(1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol

C20H26N4O2 — CID 96538427

IUPAC(1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESO[C@H](CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C20H26N4O2/c25-17(18-7-4-14-26-18)15-23-10-12-24(13-11-23)19-8-9-21-20(22-19)16-5-2-1-3-6-16/h1-3,5-6,8-9,17-18,25H,4,7,10-15H2/t17-,18+/m1/s1
InChIKeyVNOPHRLKZSECQJ-MSOLQXFVSA-N
MW354.45 g/mol
LogP1.81
Rot. Bonds5

About (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol

(1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 96538427) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID96538427
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESO[C@H](CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)[C@@H]1CCCO1
InChIInChI=1S/C20H26N4O2/c25-17(18-7-4-14-26-18)15-23-10-12-24(13-11-23)19-8-9-21-20(22-19)16-5-2-1-3-6-16/h1-3,5-6,8-9,17-18,25H,4,7,10-15H2/t17-,18+/m1/s1
InChIKeyVNOPHRLKZSECQJ-MSOLQXFVSA-N
XLogP1.81
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol 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

(2S)-1-[(2R)-2-methyl-4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 124840029
cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 56537293
[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 56537224
[1-(furan-3-carbonyl)piperidin-4-yl]-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537131
N-[1-cyclopentyl-2-oxo-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethyl]acetamide
CID 56537176
1-(oxolan-2-yl)-2-phenylethanol
CID 65331018
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537119
2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537149
N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]propan-2-yl]-2-methylpropanamide
CID 126803903
4-phenoxy-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537482
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-propan-2-yloxyethanone
CID 75463330
N-benzyl-1-(2-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 53033911

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol (CID 96538427) is (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol is O[C@H](CN1CCN(c2ccnc(-c3ccccc3)n2)CC1)[C@@H]1CCCO1.
What is the InChIKey of (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is VNOPHRLKZSECQJ-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-17(18-7-4-14-26-18)15-23-10-12-24(13-11-23)19-8-9-21-20(22-19)16-5-2-1-3-6-16/h1-3,5-6,8-9,17-18,25H,4,7,10-15H2/t17-,18+/m1/s1.
What are the key properties of (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol?
(1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 354.45 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-oxolan-2-yl]-2-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 96538427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).