[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol

C15H23N3O — CID 116976618

IUPAC[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ncc(C3CCCCC3)cn2)C1
InChIInChI=1S/C15H23N3O/c19-11-12-6-7-18(10-12)15-16-8-14(9-17-15)13-4-2-1-3-5-13/h8-9,12-13,19H,1-7,10-11H2
InChIKeyLCACYRCOMFTUTI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.34
Rot. Bonds3

About [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol

[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 116976618) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
PubChem CID116976618
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2ncc(C3CCCCC3)cn2)C1
InChIInChI=1S/C15H23N3O/c19-11-12-6-7-18(10-12)15-16-8-14(9-17-15)13-4-2-1-3-5-13/h8-9,12-13,19H,1-7,10-11H2
InChIKeyLCACYRCOMFTUTI-UHFFFAOYSA-N
XLogP2.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-cyclobutylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 116976106
1-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116976804
5-cyclohexyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 155741054
[1-[5-(2-bromophenyl)pyrimidin-2-yl]pyrrolidin-3-yl]methanol
CID 116976620
ethoxy-[2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-5-yl]methanol
CID 155321926
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
1-(5-cyclobutylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 116976080
1-(5-cyclopropylpyrimidin-2-yl)piperidin-4-ol
CID 58057790
(1-pyrazin-2-ylpyrrolidin-3-yl)methanol
CID 62372065
2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
CID 114798539
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
[1-[5-(2-methylpropyl)pyrimidin-2-yl]piperidin-4-yl]methanol
CID 116976091

Frequently Asked Questions

What is the IUPAC name of [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol (CID 116976618) is [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol is OCC1CCN(c2ncc(C3CCCCC3)cn2)C1.
What is the InChIKey of [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is LCACYRCOMFTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-11-12-6-7-18(10-12)15-16-8-14(9-17-15)13-4-2-1-3-5-13/h8-9,12-13,19H,1-7,10-11H2.
What are the key properties of [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol?
[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 261.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 116976618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).