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

C15H16ClN3O — CID 115914691

IUPAC[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H16ClN3O/c16-13-9-14(19-8-4-7-12(19)10-20)18-15(17-13)11-5-2-1-3-6-11/h1-3,5-6,9,12,20H,4,7-8,10H2
InChIKeyZFDCHGFHWQGEJJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.76
Rot. Bonds3

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

[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 115914691) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is [1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID115914691
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H16ClN3O/c16-13-9-14(19-8-4-7-12(19)10-20)18-15(17-13)11-5-2-1-3-6-11/h1-3,5-6,9,12,20H,4,7-8,10H2
InChIKeyZFDCHGFHWQGEJJ-UHFFFAOYSA-N
XLogP2.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[6-(methylamino)-2-phenylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115915425
[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80954082
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
[1-(2-chloroquinolin-4-yl)pyrrolidin-2-yl]methanol
CID 137363110
2-[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114799174
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-phenylpyrimidin-4-amine
CID 115915410
[(2S)-1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methanol
CID 94405708
4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 2218329
4-chloro-6-(4-methoxypiperidin-1-yl)-2-phenylpyrimidine
CID 115914646
[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
CID 133371791
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794344
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 115914691) is [1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is OCC1CCCN1c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of [1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is ZFDCHGFHWQGEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-13-9-14(19-8-4-7-12(19)10-20)18-15(17-13)11-5-2-1-3-6-11/h1-3,5-6,9,12,20H,4,7-8,10H2.
What are the key properties of [1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 289.77 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2-phenylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 115914691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).