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

C7H12N2 — CID 159622763

IUPAC(4S)-2,4,6-trimethyl-1,4-dihydropyrimidine
SMILESCC1=C[C@H](C)N=C(C)N1
InChIInChI=1S/C7H12N2/c1-5-4-6(2)9-7(3)8-5/h4-5H,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyVVFQCWANECFWKO-YFKPBYRVSA-N
MW124.19 g/mol
LogP1.30
Rot. Bonds

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

(4S)-2,4,6-trimethyl-1,4-dihydropyrimidine (PubChem CID 159622763) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (4S)-2,4,6-trimethyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name(4S)-2,4,6-trimethyl-1,4-dihydropyrimidine
PubChem CID159622763
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(4S)-2,4,6-trimethyl-1,4-dihydropyrimidine
SMILESCC1=C[C@H](C)N=C(C)N1
InChIInChI=1S/C7H12N2/c1-5-4-6(2)9-7(3)8-5/h4-5H,1-3H3,(H,8,9)/t5-/m0/s1
InChIKeyVVFQCWANECFWKO-YFKPBYRVSA-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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Related Compounds

InChI=1/C8H14N2/c1-6-5-8(3,4)10-7(2)9-6/h5H,1-4H3,(H,9,10
CID 13526003
2,6-Dimethyl-1,4-dihydropyrimidine
CID 57135030
2,3,4,6-tetramethyl-4H-pyrimidine
CID 57268687
4,6-Dimethyl-1,4-dihydropyrimidine
CID 68223411
(5E)-2-methyl-5-pent-4-enylidene-1,4-dihydroimidazole
CID 68273978
2,4,6-Trimethyl-1,4-dihydropyrimidine
CID 68611629
6-Ethyl-2-ethynyl-1,4-dihydropyrimidine
CID 91033465
2,4,5,6-Tetramethyl-1,4-dihydropyrimidine
CID 91492600
6-But-1-enyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 91498996
6-Hept-1-ynyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 118281581
4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
CID 123186985
8-Methyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,7-tetraene
CID 123430510

Frequently Asked Questions

What is the IUPAC name of (4S)-2,4,6-trimethyl-1,4-dihydropyrimidine?
The IUPAC name of (4S)-2,4,6-trimethyl-1,4-dihydropyrimidine (CID 159622763) is (4S)-2,4,6-trimethyl-1,4-dihydropyrimidine.
What is the SMILES notation for (4S)-2,4,6-trimethyl-1,4-dihydropyrimidine?
The canonical SMILES for (4S)-2,4,6-trimethyl-1,4-dihydropyrimidine is CC1=C[C@H](C)N=C(C)N1.
What is the InChIKey of (4S)-2,4,6-trimethyl-1,4-dihydropyrimidine?
The InChIKey is VVFQCWANECFWKO-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-4-6(2)9-7(3)8-5/h4-5H,1-3H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (4S)-2,4,6-trimethyl-1,4-dihydropyrimidine?
(4S)-2,4,6-trimethyl-1,4-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 (4S)-2,4,6-trimethyl-1,4-dihydropyrimidine is sourced from PubChem (CID 159622763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).