N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine

C8H12N4O — CID 114600963

IUPACN-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NC2CNC2)nc1
InChIInChI=1S/C8H12N4O/c1-13-7-4-10-8(11-5-7)12-6-2-9-3-6/h4-6,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyVHAIVKNZIYBIIL-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.13
Rot. Bonds3

About N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine

N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine (PubChem CID 114600963) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
PubChem CID114600963
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC NameN-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
SMILESCOc1cnc(NC2CNC2)nc1
InChIInChI=1S/C8H12N4O/c1-13-7-4-10-8(11-5-7)12-6-2-9-3-6/h4-6,9H,2-3H2,1H3,(H,10,11,12)
InChIKeyVHAIVKNZIYBIIL-UHFFFAOYSA-N
XLogP-0.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932
N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
N-(azetidin-3-yl)-5-methoxypyridin-2-amine
CID 106504454
N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 116974693
N-(5-methoxypyrimidin-2-yl)-5-azaspiro[3.5]nonan-8-amine
CID 114600858
N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
CID 116974683
5-methoxy-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 114600875
N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine
CID 116974648
5-methoxy-N-(3-methylazetidin-3-yl)pyrimidin-2-amine
CID 130870013
5-(piperidin-4-ylmethoxy)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 123875025
3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
CID 114600542
N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116974667

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine (CID 114600963) is N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine is COc1cnc(NC2CNC2)nc1.
What is the InChIKey of N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine?
The InChIKey is VHAIVKNZIYBIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-13-7-4-10-8(11-5-7)12-6-2-9-3-6/h4-6,9H,2-3H2,1H3,(H,10,11,12).
What are the key properties of N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine?
N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine has a molecular weight of 180.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine is sourced from PubChem (CID 114600963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).