(2S)-2,4,6-trimethyl-1,2-dihydropyrimidine

C7H12N2 — CID 121329502

IUPAC(2S)-2,4,6-trimethyl-1,2-dihydropyrimidine
SMILESCC1=CC(C)=N[C@@H](C)N1
InChIInChI=1S/C7H12N2/c1-5-4-6(2)9-7(3)8-5/h4,7-8H,1-3H3/t7-/m0/s1
InChIKeySERMZHJVTCGOKY-ZETCQYMHSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds

About (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine

(2S)-2,4,6-trimethyl-1,2-dihydropyrimidine (PubChem CID 121329502) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name(2S)-2,4,6-trimethyl-1,2-dihydropyrimidine
PubChem CID121329502
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2S)-2,4,6-trimethyl-1,2-dihydropyrimidine
SMILESCC1=CC(C)=N[C@@H](C)N1
InChIInChI=1S/C7H12N2/c1-5-4-6(2)9-7(3)8-5/h4,7-8H,1-3H3/t7-/m0/s1
InChIKeySERMZHJVTCGOKY-ZETCQYMHSA-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 (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine?
The IUPAC name of (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine (CID 121329502) is (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine.
What is the SMILES notation for (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine?
The canonical SMILES for (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine is CC1=CC(C)=N[C@@H](C)N1.
What is the InChIKey of (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine?
The InChIKey is SERMZHJVTCGOKY-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-4-6(2)9-7(3)8-5/h4,7-8H,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine?
(2S)-2,4,6-trimethyl-1,2-dihydropyrimidine 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 (2S)-2,4,6-trimethyl-1,2-dihydropyrimidine is sourced from PubChem (CID 121329502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).