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

C11H16ClN3O — CID 80936341

IUPAC[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCCc1nc(Cl)cc(N2CCCC2CO)n1
InChIInChI=1S/C11H16ClN3O/c1-2-10-13-9(12)6-11(14-10)15-5-3-4-8(15)7-16/h6,8,16H,2-5,7H2,1H3
InChIKeyHQSQCMRRNNTFII-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.65
Rot. Bonds3

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

[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 80936341) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is [1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID80936341
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESCCc1nc(Cl)cc(N2CCCC2CO)n1
InChIInChI=1S/C11H16ClN3O/c1-2-10-13-9(12)6-11(14-10)15-5-3-4-8(15)7-16/h6,8,16H,2-5,7H2,1H3
InChIKeyHQSQCMRRNNTFII-UHFFFAOYSA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 80936341) is [1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is CCc1nc(Cl)cc(N2CCCC2CO)n1.
What is the InChIKey of [1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is HQSQCMRRNNTFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-10-13-9(12)6-11(14-10)15-5-3-4-8(15)7-16/h6,8,16H,2-5,7H2,1H3.
What are the key properties of [1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 241.72 g/mol, XLogP of 1.65, 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-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 80936341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).