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

C10H14N4O2 — CID 102233721

IUPAC5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)[nH]c(=O)c1C=C1NCCN1
InChIInChI=1S/C10H14N4O2/c1-6-13-9(15)7(10(14-6)16-2)5-8-11-3-4-12-8/h5,11-12H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyGHHKJASBRWNYDZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.42
Rot. Bonds2

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

5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 102233721) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one
PubChem CID102233721
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one
SMILESCOc1nc(C)[nH]c(=O)c1C=C1NCCN1
InChIInChI=1S/C10H14N4O2/c1-6-13-9(15)7(10(14-6)16-2)5-8-11-3-4-12-8/h5,11-12H,3-4H2,1-2H3,(H,13,14,15)
InChIKeyGHHKJASBRWNYDZ-UHFFFAOYSA-N
XLogP-0.42
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one (CID 102233721) is 5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one is COc1nc(C)[nH]c(=O)c1C=C1NCCN1.
What is the InChIKey of 5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is GHHKJASBRWNYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-6-13-9(15)7(10(14-6)16-2)5-8-11-3-4-12-8/h5,11-12H,3-4H2,1-2H3,(H,13,14,15).
What are the key properties of 5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one?
5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 222.25 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazolidin-2-ylidenemethyl)-4-methoxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 102233721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).