[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

C10H14ClN3O — CID 71634268

IUPAC[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1cc(N2CCC(CO)C2)nc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-7-4-9(13-10(11)12-7)14-3-2-8(5-14)6-15/h4,8,15H,2-3,5-6H2,1H3
InChIKeyHLQARDUWMGDWKK-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.26
Rot. Bonds2

About [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol

[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 71634268) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID71634268
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1cc(N2CCC(CO)C2)nc(Cl)n1
InChIInChI=1S/C10H14ClN3O/c1-7-4-9(13-10(11)12-7)14-3-2-8(5-14)6-15/h4,8,15H,2-3,5-6H2,1H3
InChIKeyHLQARDUWMGDWKK-UHFFFAOYSA-N
XLogP1.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 97162738
[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 62373112
1-(2-chloro-6-methylpyrimidin-4-yl)piperidin-3-amine;hydrochloride
CID 71638277
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 63390191
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbothioamide
CID 112625491
2-[3-(hydroxymethyl)piperidin-1-yl]-6-methylpyridine-4-carboxylic acid
CID 113378557
[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 94407847
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 71634268) is [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is Cc1cc(N2CCC(CO)C2)nc(Cl)n1.
What is the InChIKey of [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is HLQARDUWMGDWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-4-9(13-10(11)12-7)14-3-2-8(5-14)6-15/h4,8,15H,2-3,5-6H2,1H3.
What are the key properties of [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol has a molecular weight of 227.69 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 71634268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).