6-methyl-1,4,5,6-tetrahydropyrimidine

C5H10N2 — CID 54344827

IUPAC6-methyl-1,4,5,6-tetrahydropyrimidine
SMILESCC1CCN=CN1
InChIInChI=1S/C5H10N2/c1-5-2-3-6-4-7-5/h4-5H,2-3H2,1H3,(H,6,7)
InChIKeyUBOMINZDSRVVTN-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.40
Rot. Bonds

About 6-methyl-1,4,5,6-tetrahydropyrimidine

6-methyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 54344827) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 6-methyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name6-methyl-1,4,5,6-tetrahydropyrimidine
PubChem CID54344827
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name6-methyl-1,4,5,6-tetrahydropyrimidine
SMILESCC1CCN=CN1
InChIInChI=1S/C5H10N2/c1-5-2-3-6-4-7-5/h4-5H,2-3H2,1H3,(H,6,7)
InChIKeyUBOMINZDSRVVTN-UHFFFAOYSA-N
XLogP0.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 6-methyl-1,4,5,6-tetrahydropyrimidine (CID 54344827) is 6-methyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 6-methyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 6-methyl-1,4,5,6-tetrahydropyrimidine is CC1CCN=CN1.
What is the InChIKey of 6-methyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is UBOMINZDSRVVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5-2-3-6-4-7-5/h4-5H,2-3H2,1H3,(H,6,7).
What are the key properties of 6-methyl-1,4,5,6-tetrahydropyrimidine?
6-methyl-1,4,5,6-tetrahydropyrimidine has a molecular weight of 98.15 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 54344827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).