[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol

C9H13N3O — CID 130978683

IUPAC[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol
SMILESCc1cc(N2CCC2)nc(CO)n1
InChIInChI=1S/C9H13N3O/c1-7-5-9(12-3-2-4-12)11-8(6-13)10-7/h5,13H,2-4,6H2,1H3
InChIKeySKJOCICPEPUDFB-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.49
Rot. Bonds2

About [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol

[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol (PubChem CID 130978683) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol
PubChem CID130978683
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol
SMILESCc1cc(N2CCC2)nc(CO)n1
InChIInChI=1S/C9H13N3O/c1-7-5-9(12-3-2-4-12)11-8(6-13)10-7/h5,13H,2-4,6H2,1H3
InChIKeySKJOCICPEPUDFB-UHFFFAOYSA-N
XLogP0.49
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(azocan-1-yl)-6-methyl-4-pyridinyl]methanol
CID 113378723
[4-(2,9-diazaspiro[4.5]decan-2-yl)-6-methylpyrimidin-2-yl]methanol
CID 166266789
[4-[3-(5-cyclopropylpyrimidin-2-yl)azetidin-1-yl]-6-methylpyrimidin-2-yl]methanol
CID 138053330
N-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 121137147
4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methoxy]benzoic acid
CID 100802415
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-bromo-N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318023
2-ethoxy-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 58336216
2-[4-[(2R,6S)-4-[2-(hydroxymethyl)-6-methylpyrimidin-4-yl]-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 22088548
2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
4-methyl-6-[(3R)-3-methylpiperidin-1-yl]-2-propylpyrimidine
CID 40640900
9-(2-ethyl-6-methylpyrimidin-4-yl)-3,9-diazaspiro[5.6]dodecane;dihydrochloride
CID 154907815

Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol (CID 130978683) is [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol is Cc1cc(N2CCC2)nc(CO)n1.
What is the InChIKey of [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol?
The InChIKey is SKJOCICPEPUDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-5-9(12-3-2-4-12)11-8(6-13)10-7/h5,13H,2-4,6H2,1H3.
What are the key properties of [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol?
[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol has a molecular weight of 179.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 130978683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).