1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol

C11H14ClN3O — CID 10149183

IUPAC1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol
SMILESCc1c(Cl)nc(C2CC2)nc1N1CC(O)C1
InChIInChI=1S/C11H14ClN3O/c1-6-9(12)13-10(7-2-3-7)14-11(6)15-4-8(16)5-15/h7-8,16H,2-5H2,1H3
InChIKeyMEMKLRAIVVGQRX-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.50
Rot. Bonds2

About 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol

1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol (PubChem CID 10149183) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol
PubChem CID10149183
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol
SMILESCc1c(Cl)nc(C2CC2)nc1N1CC(O)C1
InChIInChI=1S/C11H14ClN3O/c1-6-9(12)13-10(7-2-3-7)14-11(6)15-4-8(16)5-15/h7-8,16H,2-5H2,1H3
InChIKeyMEMKLRAIVVGQRX-UHFFFAOYSA-N
XLogP1.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.50
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-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol?
The IUPAC name of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol (CID 10149183) is 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol.
What is the SMILES notation for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol?
The canonical SMILES for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol is Cc1c(Cl)nc(C2CC2)nc1N1CC(O)C1.
What is the InChIKey of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol?
The InChIKey is MEMKLRAIVVGQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c1-6-9(12)13-10(7-2-3-7)14-11(6)15-4-8(16)5-15/h7-8,16H,2-5H2,1H3.
What are the key properties of 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol?
1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol has a molecular weight of 239.71 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)azetidin-3-ol is sourced from PubChem (CID 10149183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).