1-(6-ethylpyrimidin-4-yl)azetidin-3-amine

C9H14N4 — CID 63759800

IUPAC1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
SMILESCCc1cc(N2CC(N)C2)ncn1
InChIInChI=1S/C9H14N4/c1-2-8-3-9(12-6-11-8)13-4-7(10)5-13/h3,6-7H,2,4-5,10H2,1H3
InChIKeyZFPBBZFIKLFBPR-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.19
Rot. Bonds2

About 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine

1-(6-ethylpyrimidin-4-yl)azetidin-3-amine (PubChem CID 63759800) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
PubChem CID63759800
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
SMILESCCc1cc(N2CC(N)C2)ncn1
InChIInChI=1S/C9H14N4/c1-2-8-3-9(12-6-11-8)13-4-7(10)5-13/h3,6-7H,2,4-5,10H2,1H3
InChIKeyZFPBBZFIKLFBPR-UHFFFAOYSA-N
XLogP0.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine?
The IUPAC name of 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine (CID 63759800) is 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine.
What is the SMILES notation for 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine?
The canonical SMILES for 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine is CCc1cc(N2CC(N)C2)ncn1.
What is the InChIKey of 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine?
The InChIKey is ZFPBBZFIKLFBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-2-8-3-9(12-6-11-8)13-4-7(10)5-13/h3,6-7H,2,4-5,10H2,1H3.
What are the key properties of 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine?
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine has a molecular weight of 178.24 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylpyrimidin-4-yl)azetidin-3-amine is sourced from PubChem (CID 63759800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).