2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium

C5H5N2OV- — CID 58630511

IUPAC2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium
SMILESCc1n[c-]cc(=O)[nH]1.[V]
InChIInChI=1S/C5H5N2O.V/c1-4-6-3-2-5(8)7-4;/h2H,1H3,(H,6,7,8);/q-1;
InChIKeyIEZXYEFBVDFHPP-UHFFFAOYSA-N
MW160.05 g/mol
LogP-0.12
Rot. Bonds

About 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium

2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium (PubChem CID 58630511) has the molecular formula C5H5N2OV- and a molecular weight of 160.05 g/mol. Its IUPAC name is 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium.

Molecular Properties

Compound Name2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium
PubChem CID58630511
Molecular FormulaC5H5N2OV-
Molecular Weight160.05 g/mol
Exact Mass159.98
IUPAC Name2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium
SMILESCc1n[c-]cc(=O)[nH]1.[V]
InChIInChI=1S/C5H5N2O.V/c1-4-6-3-2-5(8)7-4;/h2H,1H3,(H,6,7,8);/q-1;
InChIKeyIEZXYEFBVDFHPP-UHFFFAOYSA-N
XLogP-0.12
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.05
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimethyl-1H-pyrimidin-4-one
CID 135408640
2-Methyl-4-amino-6-hydroxypyrimidine
CID 135431330
4,6-Dihydroxy-2-methylpyrimidine
CID 222672
2-Methyl-1,4-dihydropyrimidin-4-one
CID 250451
6-Amino-2-(trifluoromethyl)pyrimidin-4-ol
CID 135408606
6-Chloro-2-Methyl-4-Pyrimidinol
CID 135459509
2-Methylpyrimidin-4-ol hydrochloride
CID 119106306
6-Chloro-2-methylpyrimidin-4-ol hydrochloride
CID 135689646
6-(Fluoromethyl)-2-methylpyrimidin-4(1h)-one
CID 135481232
4-chloro-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 137273170
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
4-chloro-2-methyl-1H-pyrimidin-3-ium-6-one chloride
CID 135006921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium?
The IUPAC name of 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium (CID 58630511) is 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium.
What is the SMILES notation for 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium?
The canonical SMILES for 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium is Cc1n[c-]cc(=O)[nH]1.[V].
What is the InChIKey of 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium?
The InChIKey is IEZXYEFBVDFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2O.V/c1-4-6-3-2-5(8)7-4;/h2H,1H3,(H,6,7,8);/q-1;.
What are the key properties of 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium?
2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium has a molecular weight of 160.05 g/mol, XLogP of -0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dihydropyrimidin-4-id-6-one;vanadium is sourced from PubChem (CID 58630511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).