1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one

C10H13N5O — CID 742816

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one
SMILES[H]/N=C1\N(C)C(=O)CN1c1nc(C)cc(C)n1
InChIInChI=1S/C10H13N5O/c1-6-4-7(2)13-10(12-6)15-5-8(16)14(3)9(15)11/h4,11H,5H2,1-3H3/b11-9+
InChIKeyCTZHQDFGQNKOPB-PKNBQFBNSA-N
MW219.25 g/mol
LogP0.31
Rot. Bonds1

About 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one

1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one (PubChem CID 742816) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one
PubChem CID742816
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one
SMILES[H]/N=C1\N(C)C(=O)CN1c1nc(C)cc(C)n1
InChIInChI=1S/C10H13N5O/c1-6-4-7(2)13-10(12-6)15-5-8(16)14(3)9(15)11/h4,11H,5H2,1-3H3/b11-9+
InChIKeyCTZHQDFGQNKOPB-PKNBQFBNSA-N
XLogP0.31
TPSA73.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one (CID 742816) is 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one is [H]/N=C1\N(C)C(=O)CN1c1nc(C)cc(C)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one?
The InChIKey is CTZHQDFGQNKOPB-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H13N5O/c1-6-4-7(2)13-10(12-6)15-5-8(16)14(3)9(15)11/h4,11H,5H2,1-3H3/b11-9+.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one?
1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one has a molecular weight of 219.25 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-2-imino-3-methylimidazolidin-4-one is sourced from PubChem (CID 742816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).