3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide

C11H17N5O — CID 110271697

IUPAC3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide
SMILESCc1nc(N)cc(C2CCN2CCC(N)=O)n1
InChIInChI=1S/C11H17N5O/c1-7-14-8(6-10(12)15-7)9-2-4-16(9)5-3-11(13)17/h6,9H,2-5H2,1H3,(H2,13,17)(H2,12,14,15)
InChIKeyKDFULSBPXWAWEC-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.01
Rot. Bonds4

About 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide

3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide (PubChem CID 110271697) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide
PubChem CID110271697
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide
SMILESCc1nc(N)cc(C2CCN2CCC(N)=O)n1
InChIInChI=1S/C11H17N5O/c1-7-14-8(6-10(12)15-7)9-2-4-16(9)5-3-11(13)17/h6,9H,2-5H2,1H3,(H2,13,17)(H2,12,14,15)
InChIKeyKDFULSBPXWAWEC-UHFFFAOYSA-N
XLogP-0.01
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide?
The IUPAC name of 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide (CID 110271697) is 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide.
What is the SMILES notation for 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide?
The canonical SMILES for 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide is Cc1nc(N)cc(C2CCN2CCC(N)=O)n1.
What is the InChIKey of 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide?
The InChIKey is KDFULSBPXWAWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-7-14-8(6-10(12)15-7)9-2-4-16(9)5-3-11(13)17/h6,9H,2-5H2,1H3,(H2,13,17)(H2,12,14,15).
What are the key properties of 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide?
3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide has a molecular weight of 235.29 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-amino-2-methylpyrimidin-4-yl)azetidin-1-yl]propanamide is sourced from PubChem (CID 110271697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).