1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol

C9H13N3O2 — CID 126848634

IUPAC1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol
SMILESCOCc1cc(N2CC(O)C2)ncn1
InChIInChI=1S/C9H13N3O2/c1-14-5-7-2-9(11-6-10-7)12-3-8(13)4-12/h2,6,8,13H,3-5H2,1H3
InChIKeyHZMHIKPDUWUBHW-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.20
Rot. Bonds3

About 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol

1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol (PubChem CID 126848634) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol
PubChem CID126848634
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol
SMILESCOCc1cc(N2CC(O)C2)ncn1
InChIInChI=1S/C9H13N3O2/c1-14-5-7-2-9(11-6-10-7)12-3-8(13)4-12/h2,6,8,13H,3-5H2,1H3
InChIKeyHZMHIKPDUWUBHW-UHFFFAOYSA-N
XLogP-0.20
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(ethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 126848388
1-[6-(ethoxymethyl)pyrimidin-4-yl]piperidin-4-ol
CID 126848386
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
CID 121206025
(2R)-4-[6-(methoxymethyl)pyrimidin-4-yl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 97187396
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
(3R)-4-benzyl-3-ethyl-1-[6-(methoxymethyl)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 95550892
4-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-(methoxymethyl)pyrimidine
CID 95227792
(3R)-1-[4-(methoxymethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625763
[1-[6-(2-methylpropyl)pyrimidin-4-yl]azetidin-3-yl]methanamine
CID 126848573
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]azetidine-3-carboxylic acid
CID 126848203
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol (CID 126848634) is 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol is COCc1cc(N2CC(O)C2)ncn1.
What is the InChIKey of 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is HZMHIKPDUWUBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-14-5-7-2-9(11-6-10-7)12-3-8(13)4-12/h2,6,8,13H,3-5H2,1H3.
What are the key properties of 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol?
1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 195.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 126848634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).