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

C13H14N4 — CID 95841252

IUPAC4-(1-phenylazetidin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(C2CN(c3ccccc3)C2)n1
InChIInChI=1S/C13H14N4/c14-13-15-7-6-12(16-13)10-8-17(9-10)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,14,15,16)
InChIKeyPXSKWSBLNMVEQB-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.66
Rot. Bonds2

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

4-(1-phenylazetidin-3-yl)pyrimidin-2-amine (PubChem CID 95841252) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(1-phenylazetidin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-phenylazetidin-3-yl)pyrimidin-2-amine
PubChem CID95841252
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name4-(1-phenylazetidin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(C2CN(c3ccccc3)C2)n1
InChIInChI=1S/C13H14N4/c14-13-15-7-6-12(16-13)10-8-17(9-10)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,14,15,16)
InChIKeyPXSKWSBLNMVEQB-UHFFFAOYSA-N
XLogP1.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylazetidin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-phenylazetidin-3-yl)pyrimidin-2-amine (CID 95841252) is 4-(1-phenylazetidin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-phenylazetidin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-phenylazetidin-3-yl)pyrimidin-2-amine is Nc1nccc(C2CN(c3ccccc3)C2)n1.
What is the InChIKey of 4-(1-phenylazetidin-3-yl)pyrimidin-2-amine?
The InChIKey is PXSKWSBLNMVEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c14-13-15-7-6-12(16-13)10-8-17(9-10)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H2,14,15,16).
What are the key properties of 4-(1-phenylazetidin-3-yl)pyrimidin-2-amine?
4-(1-phenylazetidin-3-yl)pyrimidin-2-amine has a molecular weight of 226.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylazetidin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 95841252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).