(1-quinazolin-2-ylazetidin-3-yl)methanamine

C12H14N4 — CID 114789950

IUPAC(1-quinazolin-2-ylazetidin-3-yl)methanamine
SMILESNCC1CN(c2ncc3ccccc3n2)C1
InChIInChI=1S/C12H14N4/c13-5-9-7-16(8-9)12-14-6-10-3-1-2-4-11(10)15-12/h1-4,6,9H,5,7-8,13H2
InChIKeyFZIACEGUOHDTIA-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.02
Rot. Bonds2

About (1-quinazolin-2-ylazetidin-3-yl)methanamine

(1-quinazolin-2-ylazetidin-3-yl)methanamine (PubChem CID 114789950) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is (1-quinazolin-2-ylazetidin-3-yl)methanamine.

Molecular Properties

Compound Name(1-quinazolin-2-ylazetidin-3-yl)methanamine
PubChem CID114789950
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name(1-quinazolin-2-ylazetidin-3-yl)methanamine
SMILESNCC1CN(c2ncc3ccccc3n2)C1
InChIInChI=1S/C12H14N4/c13-5-9-7-16(8-9)12-14-6-10-3-1-2-4-11(10)15-12/h1-4,6,9H,5,7-8,13H2
InChIKeyFZIACEGUOHDTIA-UHFFFAOYSA-N
XLogP1.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-quinazolin-2-ylazetidin-3-yl)methanamine?
The IUPAC name of (1-quinazolin-2-ylazetidin-3-yl)methanamine (CID 114789950) is (1-quinazolin-2-ylazetidin-3-yl)methanamine.
What is the SMILES notation for (1-quinazolin-2-ylazetidin-3-yl)methanamine?
The canonical SMILES for (1-quinazolin-2-ylazetidin-3-yl)methanamine is NCC1CN(c2ncc3ccccc3n2)C1.
What is the InChIKey of (1-quinazolin-2-ylazetidin-3-yl)methanamine?
The InChIKey is FZIACEGUOHDTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-5-9-7-16(8-9)12-14-6-10-3-1-2-4-11(10)15-12/h1-4,6,9H,5,7-8,13H2.
What are the key properties of (1-quinazolin-2-ylazetidin-3-yl)methanamine?
(1-quinazolin-2-ylazetidin-3-yl)methanamine has a molecular weight of 214.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-quinazolin-2-ylazetidin-3-yl)methanamine is sourced from PubChem (CID 114789950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).