6-methyl-1H-pyrimidine

C5H6N2 — CID 176539678

IUPAC6-methyl-1H-pyrimidine
SMILESCC1=C=CN=CN1
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h3-4H,1H3,(H,6,7)
InChIKeyDBDMCEPHAAPNQT-UHFFFAOYSA-N
MW94.12 g/mol
LogP0.63
Rot. Bonds

About 6-methyl-1H-pyrimidine

6-methyl-1H-pyrimidine (PubChem CID 176539678) has the molecular formula C5H6N2 and a molecular weight of 94.12 g/mol. Its IUPAC name is 6-methyl-1H-pyrimidine.

Molecular Properties

Compound Name6-methyl-1H-pyrimidine
PubChem CID176539678
Molecular FormulaC5H6N2
Molecular Weight94.12 g/mol
Exact Mass94.05
IUPAC Name6-methyl-1H-pyrimidine
SMILESCC1=C=CN=CN1
InChIInChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h3-4H,1H3,(H,6,7)
InChIKeyDBDMCEPHAAPNQT-UHFFFAOYSA-N
XLogP0.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.12
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-pyrimidine?
The IUPAC name of 6-methyl-1H-pyrimidine (CID 176539678) is 6-methyl-1H-pyrimidine.
What is the SMILES notation for 6-methyl-1H-pyrimidine?
The canonical SMILES for 6-methyl-1H-pyrimidine is CC1=C=CN=CN1.
What is the InChIKey of 6-methyl-1H-pyrimidine?
The InChIKey is DBDMCEPHAAPNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h3-4H,1H3,(H,6,7).
What are the key properties of 6-methyl-1H-pyrimidine?
6-methyl-1H-pyrimidine has a molecular weight of 94.12 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-pyrimidine is sourced from PubChem (CID 176539678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).