2,3,4-trimethyl-4H-pyrimidine

C7H12N2 — CID 59881778

IUPAC2,3,4-trimethyl-4H-pyrimidine
SMILESCC1=NC=CC(C)N1C
InChIInChI=1S/C7H12N2/c1-6-4-5-8-7(2)9(6)3/h4-6H,1-3H3
InChIKeyKGEQTJMDQIUNJQ-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds

About 2,3,4-trimethyl-4H-pyrimidine

2,3,4-trimethyl-4H-pyrimidine (PubChem CID 59881778) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,3,4-trimethyl-4H-pyrimidine.

Molecular Properties

Compound Name2,3,4-trimethyl-4H-pyrimidine
PubChem CID59881778
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,3,4-trimethyl-4H-pyrimidine
SMILESCC1=NC=CC(C)N1C
InChIInChI=1S/C7H12N2/c1-6-4-5-8-7(2)9(6)3/h4-6H,1-3H3
InChIKeyKGEQTJMDQIUNJQ-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-4h-pyrido[1,2-a]pyrimidine
CID 129791993
3-propan-2-yl-4H-pyrimidine
CID 20641795
3,4-dimethyl-4H-pyrimidine
CID 20728183
1-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 45087199
Pyrantel Embonate Impurity I
CID 54555363
2,3,4,6-tetramethyl-4H-pyrimidine
CID 57268687
1,2-dimethyl-4H-pyrimidine
CID 58417989
3-ethyl-2-methyl-4H-pyrimidine
CID 66729714
1,2,3-trimethyl-4H-pyrimidin-3-ium
CID 66739213
1,2,3,4-tetramethyl-4H-pyrimidin-3-ium
CID 66739378
2-methyl-3-propyl-4H-pyrimidine
CID 68059140
1,2,4,4-Tetramethylpyrimidine
CID 89117597

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-4H-pyrimidine?
The IUPAC name of 2,3,4-trimethyl-4H-pyrimidine (CID 59881778) is 2,3,4-trimethyl-4H-pyrimidine.
What is the SMILES notation for 2,3,4-trimethyl-4H-pyrimidine?
The canonical SMILES for 2,3,4-trimethyl-4H-pyrimidine is CC1=NC=CC(C)N1C.
What is the InChIKey of 2,3,4-trimethyl-4H-pyrimidine?
The InChIKey is KGEQTJMDQIUNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-4-5-8-7(2)9(6)3/h4-6H,1-3H3.
What are the key properties of 2,3,4-trimethyl-4H-pyrimidine?
2,3,4-trimethyl-4H-pyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-4H-pyrimidine is sourced from PubChem (CID 59881778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).