1-hydroxy-3-methyl-4H-pyrimidin-2-imine

C5H9N3O — CID 78582588

IUPAC1-hydroxy-3-methyl-4H-pyrimidin-2-imine
SMILES[H]/N=C1/N(O)C=CCN1C
InChIInChI=1S/C5H9N3O/c1-7-3-2-4-8(9)5(7)6/h2,4,6,9H,3H2,1H3/b6-5+
InChIKeyGFVBQOLAEUPYNU-AATRIKPKSA-N
MW127.15 g/mol
LogP0.07
Rot. Bonds

About 1-hydroxy-3-methyl-4H-pyrimidin-2-imine

1-hydroxy-3-methyl-4H-pyrimidin-2-imine (PubChem CID 78582588) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-4H-pyrimidin-2-imine.

Molecular Properties

Compound Name1-hydroxy-3-methyl-4H-pyrimidin-2-imine
PubChem CID78582588
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name1-hydroxy-3-methyl-4H-pyrimidin-2-imine
SMILES[H]/N=C1/N(O)C=CCN1C
InChIInChI=1S/C5H9N3O/c1-7-3-2-4-8(9)5(7)6/h2,4,6,9H,3H2,1H3/b6-5+
InChIKeyGFVBQOLAEUPYNU-AATRIKPKSA-N
XLogP0.07
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-4H-pyrimidin-2-imine?
The IUPAC name of 1-hydroxy-3-methyl-4H-pyrimidin-2-imine (CID 78582588) is 1-hydroxy-3-methyl-4H-pyrimidin-2-imine.
What is the SMILES notation for 1-hydroxy-3-methyl-4H-pyrimidin-2-imine?
The canonical SMILES for 1-hydroxy-3-methyl-4H-pyrimidin-2-imine is [H]/N=C1/N(O)C=CCN1C.
What is the InChIKey of 1-hydroxy-3-methyl-4H-pyrimidin-2-imine?
The InChIKey is GFVBQOLAEUPYNU-AATRIKPKSA-N. The full InChI is InChI=1S/C5H9N3O/c1-7-3-2-4-8(9)5(7)6/h2,4,6,9H,3H2,1H3/b6-5+.
What are the key properties of 1-hydroxy-3-methyl-4H-pyrimidin-2-imine?
1-hydroxy-3-methyl-4H-pyrimidin-2-imine has a molecular weight of 127.15 g/mol, XLogP of 0.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-4H-pyrimidin-2-imine is sourced from PubChem (CID 78582588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).