1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone

C10H16N4O — CID 118929190

IUPAC1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(NC2=CC(C)N=CN2)C1
InChIInChI=1S/C10H16N4O/c1-7-3-10(12-6-11-7)13-9-4-14(5-9)8(2)15/h3,6-7,9,13H,4-5H2,1-2H3,(H,11,12)
InChIKeyDEWNPLJFIROZAQ-UHFFFAOYSA-N
MW208.27 g/mol
LogP-0.33
Rot. Bonds2

About 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone

1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone (PubChem CID 118929190) has the molecular formula C10H16N4O and a molecular weight of 208.27 g/mol. Its IUPAC name is 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone
PubChem CID118929190
Molecular FormulaC10H16N4O
Molecular Weight208.27 g/mol
Exact Mass208.13
IUPAC Name1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(NC2=CC(C)N=CN2)C1
InChIInChI=1S/C10H16N4O/c1-7-3-10(12-6-11-7)13-9-4-14(5-9)8(2)15/h3,6-7,9,13H,4-5H2,1-2H3,(H,11,12)
InChIKeyDEWNPLJFIROZAQ-UHFFFAOYSA-N
XLogP-0.33
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone (CID 118929190) is 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone is CC(=O)N1CC(NC2=CC(C)N=CN2)C1.
What is the InChIKey of 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone?
The InChIKey is DEWNPLJFIROZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-3-10(12-6-11-7)13-9-4-14(5-9)8(2)15/h3,6-7,9,13H,4-5H2,1-2H3,(H,11,12).
What are the key properties of 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone?
1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone has a molecular weight of 208.27 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methyl-1,4-dihydropyrimidin-6-yl)amino]azetidin-1-yl]ethanone is sourced from PubChem (CID 118929190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).