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

C8H12N4O — CID 121206025

IUPAC1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
SMILESCNc1cc(N2CC(O)C2)ncn1
InChIInChI=1S/C8H12N4O/c1-9-7-2-8(11-5-10-7)12-3-6(13)4-12/h2,5-6,13H,3-4H2,1H3,(H,9,10,11)
InChIKeyMFYRSCZVYQKOJY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.30
Rot. Bonds2

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

1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol (PubChem CID 121206025) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
PubChem CID121206025
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
SMILESCNc1cc(N2CC(O)C2)ncn1
InChIInChI=1S/C8H12N4O/c1-9-7-2-8(11-5-10-7)12-3-6(13)4-12/h2,5-6,13H,3-4H2,1H3,(H,9,10,11)
InChIKeyMFYRSCZVYQKOJY-UHFFFAOYSA-N
XLogP-0.30
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
1-[6-(ethylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674454
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81109322
6-(1,3-dihydroisoindol-2-yl)-N-methylpyrimidin-4-amine
CID 80822585
6-(4,4-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80823841
1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-ol
CID 126850197
[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 102789924
2-[6-(methylamino)pyrimidin-4-yl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81108540
1-[6-(methoxymethyl)pyrimidin-4-yl]azetidin-3-ol
CID 126848634
N-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 80754206
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol?
The IUPAC name of 1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol (CID 121206025) is 1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol.
What is the SMILES notation for 1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol?
The canonical SMILES for 1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol is CNc1cc(N2CC(O)C2)ncn1.
What is the InChIKey of 1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol?
The InChIKey is MFYRSCZVYQKOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-9-7-2-8(11-5-10-7)12-3-6(13)4-12/h2,5-6,13H,3-4H2,1H3,(H,9,10,11).
What are the key properties of 1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol?
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol has a molecular weight of 180.21 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol is sourced from PubChem (CID 121206025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).