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

C10H14ClN3O — CID 129393742

IUPAC[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1nc(Cl)cc(N2CC[C@@H](CO)C2)n1
InChIInChI=1S/C10H14ClN3O/c1-7-12-9(11)4-10(13-7)14-3-2-8(5-14)6-15/h4,8,15H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyPYNZXKVYLXAURE-MRVPVSSYSA-N
MW227.69 g/mol
LogP1.26
Rot. Bonds2

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

[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (PubChem CID 129393742) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is [(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
PubChem CID129393742
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
SMILESCc1nc(Cl)cc(N2CC[C@@H](CO)C2)n1
InChIInChI=1S/C10H14ClN3O/c1-7-12-9(11)4-10(13-7)14-3-2-8(5-14)6-15/h4,8,15H,2-3,5-6H2,1H3/t8-/m1/s1
InChIKeyPYNZXKVYLXAURE-MRVPVSSYSA-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

4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
CID 115689812
[1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 71634268
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
[1-(6-chloro-2-methylpyrimidin-4-yl)-4-methylpyrrolidin-3-yl]methanol
CID 121202573
[(3R)-1-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 86329188
[1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 170307917
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide
CID 133442555
[1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 106767232
[(3R)-1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]methanol
CID 94407878
[1-(6-chloro-2-methylpyrimidin-4-yl)-5-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 139019006

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol (CID 129393742) is [(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is Cc1nc(Cl)cc(N2CC[C@@H](CO)C2)n1.
What is the InChIKey of [(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
The InChIKey is PYNZXKVYLXAURE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-12-9(11)4-10(13-7)14-3-2-8(5-14)6-15/h4,8,15H,2-3,5-6H2,1H3/t8-/m1/s1.
What are the key properties of [(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol?
[(3R)-1-(6-chloro-2-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 [(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 129393742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).