2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone

C15H23N5O2 — CID 171998239

IUPAC2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone
SMILESCc1cncnc1N1CC(N(C)CC(=O)N2CCOCC2)C1
InChIInChI=1S/C15H23N5O2/c1-12-7-16-11-17-15(12)20-8-13(9-20)18(2)10-14(21)19-3-5-22-6-4-19/h7,11,13H,3-6,8-10H2,1-2H3
InChIKeyYQPQHWUSJDKUNY-UHFFFAOYSA-N
MW305.38 g/mol
LogP-0.24
Rot. Bonds4

About 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone

2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone (PubChem CID 171998239) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone
PubChem CID171998239
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone
SMILESCc1cncnc1N1CC(N(C)CC(=O)N2CCOCC2)C1
InChIInChI=1S/C15H23N5O2/c1-12-7-16-11-17-15(12)20-8-13(9-20)18(2)10-14(21)19-3-5-22-6-4-19/h7,11,13H,3-6,8-10H2,1-2H3
InChIKeyYQPQHWUSJDKUNY-UHFFFAOYSA-N
XLogP-0.24
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone 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 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone (CID 171998239) is 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone is Cc1cncnc1N1CC(N(C)CC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone?
The InChIKey is YQPQHWUSJDKUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-12-7-16-11-17-15(12)20-8-13(9-20)18(2)10-14(21)19-3-5-22-6-4-19/h7,11,13H,3-6,8-10H2,1-2H3.
What are the key properties of 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone?
2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone has a molecular weight of 305.38 g/mol, XLogP of -0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(5-methylpyrimidin-4-yl)azetidin-3-yl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 171998239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).