2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

C16H18ClN3O — CID 114799174

IUPAC2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2cc(Cl)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18ClN3O/c17-14-10-15(20-8-6-12(11-20)7-9-21)19-16(18-14)13-4-2-1-3-5-13/h1-5,10,12,21H,6-9,11H2
InChIKeyFHWYVOJVUZRTOR-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.01
Rot. Bonds4

About 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol

2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (PubChem CID 114799174) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
PubChem CID114799174
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2cc(Cl)nc(-c3ccccc3)n2)C1
InChIInChI=1S/C16H18ClN3O/c17-14-10-15(20-8-6-12(11-20)7-9-21)19-16(18-14)13-4-2-1-3-5-13/h1-5,10,12,21H,6-9,11H2
InChIKeyFHWYVOJVUZRTOR-UHFFFAOYSA-N
XLogP3.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-amino-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802916
4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
CID 115914646
2-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]ethanol
CID 114799166
4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 2218329
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 115914691
2-[1-(2-tert-butyl-6-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107228400
2-[1-(5-chloropyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 130986944
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 103761496
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
2-[(3S)-1-(6-phenylmethoxypyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 97047985

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol (CID 114799174) is 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is OCCC1CCN(c2cc(Cl)nc(-c3ccccc3)n2)C1.
What is the InChIKey of 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is FHWYVOJVUZRTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-10-15(20-8-6-12(11-20)7-9-21)19-16(18-14)13-4-2-1-3-5-13/h1-5,10,12,21H,6-9,11H2.
What are the key properties of 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 303.79 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).