2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine

C8H12N4O — CID 126980763

IUPAC2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
SMILESCOC1CN(c2nccc(N)n2)C1
InChIInChI=1S/C8H12N4O/c1-13-6-4-12(5-6)8-10-3-2-7(9)11-8/h2-3,6H,4-5H2,1H3,(H2,9,10,11)
InChIKeyFWHVOHMMUOYUMQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.11
Rot. Bonds2

About 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine

2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine (PubChem CID 126980763) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
PubChem CID126980763
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine
SMILESCOC1CN(c2nccc(N)n2)C1
InChIInChI=1S/C8H12N4O/c1-13-6-4-12(5-6)8-10-3-2-7(9)11-8/h2-3,6H,4-5H2,1H3,(H2,9,10,11)
InChIKeyFWHVOHMMUOYUMQ-UHFFFAOYSA-N
XLogP-0.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-ol
CID 156538124
1-(4-aminopyrimidin-2-yl)-4-methoxypiperidine-3-carbonitrile
CID 156538123
methyl 1-(4-aminopyrimidin-2-yl)pyrrolidine-3-carboxylate
CID 116797068
2-[(3S)-3-aminopyrrolidin-1-yl]pyrimidin-4-amine
CID 90103653
[2-(3-methoxypyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542321
2-[1-(4-aminopyrimidin-2-yl)-4-methoxypiperidin-3-yl]oxyethanol
CID 175554485
2-(3-methoxyazetidin-1-yl)-4,6-dimethylpyrimidin-5-amine
CID 121204972
2-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrimidin-4-amine
CID 135116061
2-(3-pyridin-3-ylazetidin-1-yl)pyrimidin-4-amine
CID 56887887
methanol;2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 156802158
1-(4-aminopyrimidin-2-yl)-4-(2-methoxyethoxy)piperidin-3-ol
CID 156538204
2-[(3S,4R)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]pyrimidin-4-amine
CID 70721125

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine (CID 126980763) is 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine is COC1CN(c2nccc(N)n2)C1.
What is the InChIKey of 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine?
The InChIKey is FWHVOHMMUOYUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-13-6-4-12(5-6)8-10-3-2-7(9)11-8/h2-3,6H,4-5H2,1H3,(H2,9,10,11).
What are the key properties of 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine?
2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine has a molecular weight of 180.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyazetidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 126980763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).