3,4-dimethyl-4H-pyrimidine

C6H10N2 — CID 20728183

IUPAC3,4-dimethyl-4H-pyrimidine
SMILESCC1C=CN=CN1C
InChIInChI=1S/C6H10N2/c1-6-3-4-7-5-8(6)2/h3-6H,1-2H3
InChIKeyWPTHZVQTOXXNPL-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.86
Rot. Bonds

About 3,4-dimethyl-4H-pyrimidine

3,4-dimethyl-4H-pyrimidine (PubChem CID 20728183) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3,4-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name3,4-dimethyl-4H-pyrimidine
PubChem CID20728183
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3,4-dimethyl-4H-pyrimidine
SMILESCC1C=CN=CN1C
InChIInChI=1S/C6H10N2/c1-6-3-4-7-5-8(6)2/h3-6H,1-2H3
InChIKeyWPTHZVQTOXXNPL-UHFFFAOYSA-N
XLogP0.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4H-pyrimidine?
The IUPAC name of 3,4-dimethyl-4H-pyrimidine (CID 20728183) is 3,4-dimethyl-4H-pyrimidine.
What is the SMILES notation for 3,4-dimethyl-4H-pyrimidine?
The canonical SMILES for 3,4-dimethyl-4H-pyrimidine is CC1C=CN=CN1C.
What is the InChIKey of 3,4-dimethyl-4H-pyrimidine?
The InChIKey is WPTHZVQTOXXNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-6-3-4-7-5-8(6)2/h3-6H,1-2H3.
What are the key properties of 3,4-dimethyl-4H-pyrimidine?
3,4-dimethyl-4H-pyrimidine has a molecular weight of 110.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4H-pyrimidine is sourced from PubChem (CID 20728183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).