N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine

C14H16N4O — CID 116974653

IUPACN-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(NC3CNC3)nc2)cc1
InChIInChI=1S/C14H16N4O/c1-19-13-4-2-10(3-5-13)11-6-16-14(17-7-11)18-12-8-15-9-12/h2-7,12,15H,8-9H2,1H3,(H,16,17,18)
InChIKeyVDOPJQWXEHFSOS-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.54
Rot. Bonds4

About N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine

N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 116974653) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID116974653
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(NC3CNC3)nc2)cc1
InChIInChI=1S/C14H16N4O/c1-19-13-4-2-10(3-5-13)11-6-16-14(17-7-11)18-12-8-15-9-12/h2-7,12,15H,8-9H2,1H3,(H,16,17,18)
InChIKeyVDOPJQWXEHFSOS-UHFFFAOYSA-N
XLogP1.54
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
CID 114600963
N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
CID 116974683
5-(4-methoxyphenyl)-N-methylpyrimidin-2-amine
CID 116976946
N-(azetidin-3-yl)-5-methoxypyridin-2-amine
CID 106504454
N-(5-methoxypyrimidin-2-yl)azepan-3-amine
CID 114600932
N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116974667
N-[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 68781594
5-(4-cyclobutyloxyphenyl)-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 46239078
5-(4-methoxyphenyl)-N-prop-2-enylpyrimidin-2-amine
CID 4685164
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride
CID 90390001
CID 143432597
CID 143432597

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine (CID 116974653) is N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cnc(NC3CNC3)nc2)cc1.
What is the InChIKey of N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is VDOPJQWXEHFSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-19-13-4-2-10(3-5-13)11-6-16-14(17-7-11)18-12-8-15-9-12/h2-7,12,15H,8-9H2,1H3,(H,16,17,18).
What are the key properties of N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine?
N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 256.31 g/mol, XLogP of 1.54, 4 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-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 116974653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).