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

C15H18N4 — CID 116974648

IUPACN-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cnc(NC3CNC3)nc2)cc1C
InChIInChI=1S/C15H18N4/c1-10-3-4-12(5-11(10)2)13-6-17-15(18-7-13)19-14-8-16-9-14/h3-7,14,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyLIGYFAJVIWQBOM-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.14
Rot. Bonds3

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

N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine (PubChem CID 116974648) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine
PubChem CID116974648
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine
SMILESCc1ccc(-c2cnc(NC3CNC3)nc2)cc1C
InChIInChI=1S/C15H18N4/c1-10-3-4-12(5-11(10)2)13-6-17-15(18-7-13)19-14-8-16-9-14/h3-7,14,16H,8-9H2,1-2H3,(H,17,18,19)
InChIKeyLIGYFAJVIWQBOM-UHFFFAOYSA-N
XLogP2.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
CID 116974683
[5-(3,4-dimethylphenyl)pyrimidin-2-yl]cyanamide
CID 116975461
N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116974667
N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
CID 114600963
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
4-[[5-(3,4-dimethylphenyl)pyrimidin-2-yl]amino]butan-2-one
CID 116975916
N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 116974693
[3-[(5-bromopyrimidin-2-yl)amino]piperidin-1-yl]-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 66882139
2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
CID 116898684
5-(3,4-dimethylphenyl)-3-methylpyridin-2-amine
CID 83170241

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine (CID 116974648) is N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine is Cc1ccc(-c2cnc(NC3CNC3)nc2)cc1C.
What is the InChIKey of N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is LIGYFAJVIWQBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-3-4-12(5-11(10)2)13-6-17-15(18-7-13)19-14-8-16-9-14/h3-7,14,16H,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine?
N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 116974648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).