6-methyl-1,2,3,4-tetrahydropyrimidine

C5H10N2 — CID 5231975

IUPAC6-methyl-1,2,3,4-tetrahydropyrimidine
SMILESCC1=CCNCN1
InChIInChI=1S/C5H10N2/c1-5-2-3-6-4-7-5/h2,6-7H,3-4H2,1H3
InChIKeyKZDLWEXEXJDVSA-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.04
Rot. Bonds

About 6-methyl-1,2,3,4-tetrahydropyrimidine

6-methyl-1,2,3,4-tetrahydropyrimidine (PubChem CID 5231975) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 6-methyl-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name6-methyl-1,2,3,4-tetrahydropyrimidine
PubChem CID5231975
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name6-methyl-1,2,3,4-tetrahydropyrimidine
SMILESCC1=CCNCN1
InChIInChI=1S/C5H10N2/c1-5-2-3-6-4-7-5/h2,6-7H,3-4H2,1H3
InChIKeyKZDLWEXEXJDVSA-UHFFFAOYSA-N
XLogP0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.15
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 6-methyl-1,2,3,4-tetrahydropyrimidine (CID 5231975) is 6-methyl-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 6-methyl-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 6-methyl-1,2,3,4-tetrahydropyrimidine is CC1=CCNCN1.
What is the InChIKey of 6-methyl-1,2,3,4-tetrahydropyrimidine?
The InChIKey is KZDLWEXEXJDVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5-2-3-6-4-7-5/h2,6-7H,3-4H2,1H3.
What are the key properties of 6-methyl-1,2,3,4-tetrahydropyrimidine?
6-methyl-1,2,3,4-tetrahydropyrimidine has a molecular weight of 98.15 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 5231975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).