4,4,6-trimethyl-1H-pyrimidine

C7H12N2 — CID 5324921

IUPAC4,4,6-trimethyl-1H-pyrimidine
SMILESCC1=CC(C)(C)N=CN1
InChIInChI=1S/C7H12N2/c1-6-4-7(2,3)9-5-8-6/h4-5H,1-3H3,(H,8,9)
InChIKeyYOSVGVMVSKYIRK-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds

About 4,4,6-trimethyl-1H-pyrimidine

4,4,6-trimethyl-1H-pyrimidine (PubChem CID 5324921) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 4,4,6-trimethyl-1H-pyrimidine.

Molecular Properties

Compound Name4,4,6-trimethyl-1H-pyrimidine
PubChem CID5324921
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name4,4,6-trimethyl-1H-pyrimidine
SMILESCC1=CC(C)(C)N=CN1
InChIInChI=1S/C7H12N2/c1-6-4-7(2,3)9-5-8-6/h4-5H,1-3H3,(H,8,9)
InChIKeyYOSVGVMVSKYIRK-UHFFFAOYSA-N
XLogP1.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-1H-pyrimidine?
The IUPAC name of 4,4,6-trimethyl-1H-pyrimidine (CID 5324921) is 4,4,6-trimethyl-1H-pyrimidine.
What is the SMILES notation for 4,4,6-trimethyl-1H-pyrimidine?
The canonical SMILES for 4,4,6-trimethyl-1H-pyrimidine is CC1=CC(C)(C)N=CN1.
What is the InChIKey of 4,4,6-trimethyl-1H-pyrimidine?
The InChIKey is YOSVGVMVSKYIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-4-7(2,3)9-5-8-6/h4-5H,1-3H3,(H,8,9).
What are the key properties of 4,4,6-trimethyl-1H-pyrimidine?
4,4,6-trimethyl-1H-pyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-1H-pyrimidine is sourced from PubChem (CID 5324921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).