1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one

C11H15N5O — CID 136543148

IUPAC1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one
SMILESCc1nccc(N2CC(N3CCNC3=O)C2)n1
InChIInChI=1S/C11H15N5O/c1-8-12-3-2-10(14-8)15-6-9(7-15)16-5-4-13-11(16)17/h2-3,9H,4-7H2,1H3,(H,13,17)
InChIKeyGDSBMUOBUOCVBB-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.00
Rot. Bonds2

About 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one

1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one (PubChem CID 136543148) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one
PubChem CID136543148
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one
SMILESCc1nccc(N2CC(N3CCNC3=O)C2)n1
InChIInChI=1S/C11H15N5O/c1-8-12-3-2-10(14-8)15-6-9(7-15)16-5-4-13-11(16)17/h2-3,9H,4-7H2,1H3,(H,13,17)
InChIKeyGDSBMUOBUOCVBB-UHFFFAOYSA-N
XLogP-0.00
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one (CID 136543148) is 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one is Cc1nccc(N2CC(N3CCNC3=O)C2)n1.
What is the InChIKey of 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one?
The InChIKey is GDSBMUOBUOCVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-12-3-2-10(14-8)15-6-9(7-15)16-5-4-13-11(16)17/h2-3,9H,4-7H2,1H3,(H,13,17).
What are the key properties of 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one?
1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpyrimidin-4-yl)azetidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 136543148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).