N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine

C12H13N5 — CID 116974683

IUPACN-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
SMILESc1cc(-c2cnc(NC3CNC3)nc2)ccn1
InChIInChI=1S/C12H13N5/c1-3-13-4-2-9(1)10-5-15-12(16-6-10)17-11-7-14-8-11/h1-6,11,14H,7-8H2,(H,15,16,17)
InChIKeyUCKYMXBOZSJLKF-UHFFFAOYSA-N
MW227.27 g/mol
LogP0.92
Rot. Bonds3

About N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine

N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine (PubChem CID 116974683) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
PubChem CID116974683
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC NameN-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine
SMILESc1cc(-c2cnc(NC3CNC3)nc2)ccn1
InChIInChI=1S/C12H13N5/c1-3-13-4-2-9(1)10-5-15-12(16-6-10)17-11-7-14-8-11/h1-6,11,14H,7-8H2,(H,15,16,17)
InChIKeyUCKYMXBOZSJLKF-UHFFFAOYSA-N
XLogP0.92
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-3-yl-5-pyridin-4-ylpyrimidin-2-amine
CID 116974754
N-(azetidin-3-yl)-5-(4-methoxyphenyl)pyrimidin-2-amine
CID 116974653
N-(azetidin-3-yl)-5-(3,4-dimethylphenyl)pyrimidin-2-amine
CID 116974648
N-(azetidin-3-yl)-5-(1H-pyrrol-2-yl)pyrimidin-2-amine
CID 116974667
N-(azetidin-3-yl)pyridin-4-amine;ethane
CID 144986500
N-(azetidin-3-yl)-5-methoxypyrimidin-2-amine
CID 114600963
5-pyridin-4-yl-N-(2-pyrrolidin-3-ylethyl)pyrimidin-2-amine
CID 116975968
5-(3-fluorophenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 116974721
N-(azetidin-3-yl)-5-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 116974693
5-(4-fluorophenyl)-N-(1-propan-2-ylpiperidin-3-yl)pyrimidin-2-amine
CID 170925547
4-N-(azetidin-3-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115264106
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
CID 112638736

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine (CID 116974683) is N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine is c1cc(-c2cnc(NC3CNC3)nc2)ccn1.
What is the InChIKey of N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is UCKYMXBOZSJLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-3-13-4-2-9(1)10-5-15-12(16-6-10)17-11-7-14-8-11/h1-6,11,14H,7-8H2,(H,15,16,17).
What are the key properties of N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine?
N-(azetidin-3-yl)-5-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 227.27 g/mol, XLogP of 0.92, 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-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 116974683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).