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

C7H14N2 — CID 118857303

IUPAC2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine
SMILESCC1=CC(C)NC(C)N1
InChIInChI=1S/C7H14N2/c1-5-4-6(2)9-7(3)8-5/h4-5,7-9H,1-3H3
InChIKeyVCXHPJWCUAUHTM-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.82
Rot. Bonds

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

2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine (PubChem CID 118857303) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine.

Molecular Properties

Compound Name2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine
PubChem CID118857303
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine
SMILESCC1=CC(C)NC(C)N1
InChIInChI=1S/C7H14N2/c1-5-4-6(2)9-7(3)8-5/h4-5,7-9H,1-3H3
InChIKeyVCXHPJWCUAUHTM-UHFFFAOYSA-N
XLogP0.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine?
The IUPAC name of 2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine (CID 118857303) is 2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine.
What is the SMILES notation for 2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine?
The canonical SMILES for 2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine is CC1=CC(C)NC(C)N1.
What is the InChIKey of 2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine?
The InChIKey is VCXHPJWCUAUHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-4-6(2)9-7(3)8-5/h4-5,7-9H,1-3H3.
What are the key properties of 2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine?
2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine has a molecular weight of 126.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-1,2,3,4-tetrahydropyrimidine is sourced from PubChem (CID 118857303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).