4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one

C9H11ClN4O — CID 136695438

IUPAC4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)c(C=C2NCCN2)c(=O)[nH]1
InChIInChI=1S/C9H11ClN4O/c1-5-13-8(10)6(9(15)14-5)4-7-11-2-3-12-7/h4,11-12H,2-3H2,1H3,(H,13,14,15)
InChIKeyVUUDCHAIIDKPGO-UHFFFAOYSA-N
MW226.67 g/mol
LogP0.22
Rot. Bonds1

About 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one

4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136695438) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136695438
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(Cl)c(C=C2NCCN2)c(=O)[nH]1
InChIInChI=1S/C9H11ClN4O/c1-5-13-8(10)6(9(15)14-5)4-7-11-2-3-12-7/h4,11-12H,2-3H2,1H3,(H,13,14,15)
InChIKeyVUUDCHAIIDKPGO-UHFFFAOYSA-N
XLogP0.22
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one
CID 102233721
6-Chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114581849

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one (CID 136695438) is 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one is Cc1nc(Cl)c(C=C2NCCN2)c(=O)[nH]1.
What is the InChIKey of 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VUUDCHAIIDKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-5-13-8(10)6(9(15)14-5)4-7-11-2-3-12-7/h4,11-12H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one?
4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 226.67 g/mol, XLogP of 0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(imidazolidin-2-ylidenemethyl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136695438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).