1-methyl-5,6-dihydro-4H-pyrimidin-2-olate

C5H9N2O- — CID 88533494

IUPAC1-methyl-5,6-dihydro-4H-pyrimidin-2-olate
SMILESCN1CCCN=C1[O-]
InChIInChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)/p-1
InChIKeyCOYPZADTXISTSJ-UHFFFAOYSA-M
MW113.14 g/mol
LogP-0.96
Rot. Bonds

About 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate

1-methyl-5,6-dihydro-4H-pyrimidin-2-olate (PubChem CID 88533494) has the molecular formula C5H9N2O- and a molecular weight of 113.14 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-4H-pyrimidin-2-olate
PubChem CID88533494
Molecular FormulaC5H9N2O-
Molecular Weight113.14 g/mol
Exact Mass113.07
IUPAC Name1-methyl-5,6-dihydro-4H-pyrimidin-2-olate
SMILESCN1CCCN=C1[O-]
InChIInChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)/p-1
InChIKeyCOYPZADTXISTSJ-UHFFFAOYSA-M
XLogP-0.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate?
The IUPAC name of 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate (CID 88533494) is 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate.
What is the SMILES notation for 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate?
The canonical SMILES for 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate is CN1CCCN=C1[O-].
What is the InChIKey of 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate?
The InChIKey is COYPZADTXISTSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)/p-1.
What are the key properties of 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate?
1-methyl-5,6-dihydro-4H-pyrimidin-2-olate has a molecular weight of 113.14 g/mol, XLogP of -0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydro-4H-pyrimidin-2-olate is sourced from PubChem (CID 88533494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).