1,2,3-trimethyl-2,4-dihydropyrimidine

C7H14N2 — CID 23084417

IUPAC1,2,3-trimethyl-2,4-dihydropyrimidine
SMILESCC1N(C)C=CCN1C
InChIInChI=1S/C7H14N2/c1-7-8(2)5-4-6-9(7)3/h4-5,7H,6H2,1-3H3
InChIKeySSGBLFZLLLQTNF-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.72
Rot. Bonds

About 1,2,3-trimethyl-2,4-dihydropyrimidine

1,2,3-trimethyl-2,4-dihydropyrimidine (PubChem CID 23084417) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1,2,3-trimethyl-2,4-dihydropyrimidine.

Molecular Properties

Compound Name1,2,3-trimethyl-2,4-dihydropyrimidine
PubChem CID23084417
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1,2,3-trimethyl-2,4-dihydropyrimidine
SMILESCC1N(C)C=CCN1C
InChIInChI=1S/C7H14N2/c1-7-8(2)5-4-6-9(7)3/h4-5,7H,6H2,1-3H3
InChIKeySSGBLFZLLLQTNF-UHFFFAOYSA-N
XLogP0.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-2,4-dihydropyrimidine?
The IUPAC name of 1,2,3-trimethyl-2,4-dihydropyrimidine (CID 23084417) is 1,2,3-trimethyl-2,4-dihydropyrimidine.
What is the SMILES notation for 1,2,3-trimethyl-2,4-dihydropyrimidine?
The canonical SMILES for 1,2,3-trimethyl-2,4-dihydropyrimidine is CC1N(C)C=CCN1C.
What is the InChIKey of 1,2,3-trimethyl-2,4-dihydropyrimidine?
The InChIKey is SSGBLFZLLLQTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7-8(2)5-4-6-9(7)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 1,2,3-trimethyl-2,4-dihydropyrimidine?
1,2,3-trimethyl-2,4-dihydropyrimidine has a molecular weight of 126.20 g/mol, XLogP of 0.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2,4-dihydropyrimidine is sourced from PubChem (CID 23084417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).