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

C5H10N2 — CID 2771917

IUPAC2-methyl-1,4,5,6-tetrahydropyrimidine
SMILESCC1=NCCCN1
InChIInChI=1S/C5H10N2/c1-5-6-3-2-4-7-5/h2-4H2,1H3,(H,6,7)
InChIKeyARIDPRZCOYMNQD-UHFFFAOYSA-N
MW98.15 g/mol
LogP0.40
Rot. Bonds

About 2-methyl-1,4,5,6-tetrahydropyrimidine

2-methyl-1,4,5,6-tetrahydropyrimidine (PubChem CID 2771917) has the molecular formula C5H10N2 and a molecular weight of 98.15 g/mol. Its IUPAC name is 2-methyl-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-methyl-1,4,5,6-tetrahydropyrimidine
PubChem CID2771917
Molecular FormulaC5H10N2
Molecular Weight98.15 g/mol
Exact Mass98.08
IUPAC Name2-methyl-1,4,5,6-tetrahydropyrimidine
SMILESCC1=NCCCN1
InChIInChI=1S/C5H10N2/c1-5-6-3-2-4-7-5/h2-4H2,1H3,(H,6,7)
InChIKeyARIDPRZCOYMNQD-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 2-methyl-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-methyl-1,4,5,6-tetrahydropyrimidine (CID 2771917) is 2-methyl-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-methyl-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-methyl-1,4,5,6-tetrahydropyrimidine is CC1=NCCCN1.
What is the InChIKey of 2-methyl-1,4,5,6-tetrahydropyrimidine?
The InChIKey is ARIDPRZCOYMNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2/c1-5-6-3-2-4-7-5/h2-4H2,1H3,(H,6,7).
What are the key properties of 2-methyl-1,4,5,6-tetrahydropyrimidine?
2-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 2-methyl-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 2771917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).