(5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone

C7H8N2O3 — CID 86736291

IUPAC(5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone
SMILESCOC1=C(OC)NC(=C=O)N=C1
InChIInChI=1S/C7H8N2O3/c1-11-5-3-8-6(4-10)9-7(5)12-2/h3,9H,1-2H3
InChIKeyJNSMRLKCEUUCHB-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.20
Rot. Bonds2

About (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone

(5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone (PubChem CID 86736291) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone.

Molecular Properties

Compound Name(5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone
PubChem CID86736291
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name(5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone
SMILESCOC1=C(OC)NC(=C=O)N=C1
InChIInChI=1S/C7H8N2O3/c1-11-5-3-8-6(4-10)9-7(5)12-2/h3,9H,1-2H3
InChIKeyJNSMRLKCEUUCHB-UHFFFAOYSA-N
XLogP-0.20
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-5-methoxy-1,2-dihydropyrimidin-2-one
CID 15422742
6-Methoxy-5-methyl-2(1H)-pyrimidinone
CID 65353
5-Fluoro-6-methoxypyrimidin-2(1H)-one
CID 45080429
5,6-dimethoxy-1H-pyrimidine-2-thione
CID 18006384
5,6-dimethoxy-1H-pyrimidin-2-one
CID 21938924
5,6-diethoxy-1H-pyrimidin-2-one
CID 69847402
6-amino-5-ethoxy-1H-pyrimidin-2-one
CID 100960514
4-Methoxypyrimidine-2,5-diol
CID 45080305

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone?
The IUPAC name of (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone (CID 86736291) is (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone.
What is the SMILES notation for (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone?
The canonical SMILES for (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone is COC1=C(OC)NC(=C=O)N=C1.
What is the InChIKey of (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone?
The InChIKey is JNSMRLKCEUUCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-11-5-3-8-6(4-10)9-7(5)12-2/h3,9H,1-2H3.
What are the key properties of (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone?
(5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone has a molecular weight of 168.15 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethoxy-1H-pyrimidin-2-ylidene)methanone is sourced from PubChem (CID 86736291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).