2,5-dimethyl-4H-pyrimidin-3-ide

C6H9N2- — CID 145231369

IUPAC2,5-dimethyl-4H-pyrimidin-3-ide
SMILESCC1=CN=C(C)[N-]C1
InChIInChI=1S/C6H9N2/c1-5-3-7-6(2)8-4-5/h3H,4H2,1-2H3/q-1
InChIKeyAYJXROSKHYSPNK-UHFFFAOYSA-N
MW109.15 g/mol
LogP1.70
Rot. Bonds

About 2,5-dimethyl-4H-pyrimidin-3-ide

2,5-dimethyl-4H-pyrimidin-3-ide (PubChem CID 145231369) has the molecular formula C6H9N2- and a molecular weight of 109.15 g/mol. Its IUPAC name is 2,5-dimethyl-4H-pyrimidin-3-ide.

Molecular Properties

Compound Name2,5-dimethyl-4H-pyrimidin-3-ide
PubChem CID145231369
Molecular FormulaC6H9N2-
Molecular Weight109.15 g/mol
Exact Mass109.08
IUPAC Name2,5-dimethyl-4H-pyrimidin-3-ide
SMILESCC1=CN=C(C)[N-]C1
InChIInChI=1S/C6H9N2/c1-5-3-7-6(2)8-4-5/h3H,4H2,1-2H3/q-1
InChIKeyAYJXROSKHYSPNK-UHFFFAOYSA-N
XLogP1.70
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4H-pyrimidin-3-ide?
The IUPAC name of 2,5-dimethyl-4H-pyrimidin-3-ide (CID 145231369) is 2,5-dimethyl-4H-pyrimidin-3-ide.
What is the SMILES notation for 2,5-dimethyl-4H-pyrimidin-3-ide?
The canonical SMILES for 2,5-dimethyl-4H-pyrimidin-3-ide is CC1=CN=C(C)[N-]C1.
What is the InChIKey of 2,5-dimethyl-4H-pyrimidin-3-ide?
The InChIKey is AYJXROSKHYSPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2/c1-5-3-7-6(2)8-4-5/h3H,4H2,1-2H3/q-1.
What are the key properties of 2,5-dimethyl-4H-pyrimidin-3-ide?
2,5-dimethyl-4H-pyrimidin-3-ide has a molecular weight of 109.15 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4H-pyrimidin-3-ide is sourced from PubChem (CID 145231369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).