[1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol

C9H12ClN3O — CID 71634704

IUPAC[1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol
SMILESCc1cnc(N2CC(CO)C2)nc1Cl
InChIInChI=1S/C9H12ClN3O/c1-6-2-11-9(12-8(6)10)13-3-7(4-13)5-14/h2,7,14H,3-5H2,1H3
InChIKeyNMFNVRJWBZGHBC-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.87
Rot. Bonds2

About [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol

[1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol (PubChem CID 71634704) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol
PubChem CID71634704
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name[1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol
SMILESCc1cnc(N2CC(CO)C2)nc1Cl
InChIInChI=1S/C9H12ClN3O/c1-6-2-11-9(12-8(6)10)13-3-7(4-13)5-14/h2,7,14H,3-5H2,1H3
InChIKeyNMFNVRJWBZGHBC-UHFFFAOYSA-N
XLogP0.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol?
The IUPAC name of [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol (CID 71634704) is [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol is Cc1cnc(N2CC(CO)C2)nc1Cl.
What is the InChIKey of [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol?
The InChIKey is NMFNVRJWBZGHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6-2-11-9(12-8(6)10)13-3-7(4-13)5-14/h2,7,14H,3-5H2,1H3.
What are the key properties of [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol?
[1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol has a molecular weight of 213.67 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-5-methylpyrimidin-2-yl)azetidin-3-yl]methanol is sourced from PubChem (CID 71634704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).