3,4,6,6-tetramethyl-1H-pyrimidine-2-thione

C8H14N2S — CID 2784298

IUPAC3,4,6,6-tetramethyl-1H-pyrimidine-2-thione
SMILESCC1=CC(C)(C)NC(=S)N1C
InChIInChI=1S/C8H14N2S/c1-6-5-8(2,3)9-7(11)10(6)4/h5H,1-4H3,(H,9,11)
InChIKeyPJHIWWBQJWTETG-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.49
Rot. Bonds

About 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione

3,4,6,6-tetramethyl-1H-pyrimidine-2-thione (PubChem CID 2784298) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name3,4,6,6-tetramethyl-1H-pyrimidine-2-thione
PubChem CID2784298
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name3,4,6,6-tetramethyl-1H-pyrimidine-2-thione
SMILESCC1=CC(C)(C)NC(=S)N1C
InChIInChI=1S/C8H14N2S/c1-6-5-8(2,3)9-7(11)10(6)4/h5H,1-4H3,(H,9,11)
InChIKeyPJHIWWBQJWTETG-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3,4-Dihydro-4,4,6-trimethyl-2(1H)-pyrimidinethione
CID 965143
2(1H)-Pyrimidinethione, 1-butyl-3,4-dihydro-4,4,6-trimethyl-
CID 3034503
2(1H)-Pyrimidinethione, 3,4-dihydro-1-propyl-4,4,6-trimethyl-
CID 3038099
2(1H)-Pyrimidinethione, 3,4-dihydro-1-isobutyl-4,4,6-trimethyl-
CID 3038413
4,4,6-Trimethyl-1-(prop-2-EN-1-YL)-1,2,3,4-tetrahydropyrimidine-2-thione
CID 686409
6-Isopropyl-3,4-dihydropyrimidine-2(1h)-thione
CID 134612584
N-methyl-N'-(4-methylene-1,5-cyclohexadien-1-yl)thiourea
CID 7315541
1-Ethyl-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione
CID 12265703
3,4,4,6-Tetramethyl-1,2-dihydropyrimidine
CID 70579837
1,3,4,6-Tetramethyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882203
1,3-Diethyl-4,6-dimethyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882220
1-Cyclohexa-1,5-dien-1-yl-3-methylthiourea
CID 142340346

Frequently Asked Questions

What is the IUPAC name of 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione?
The IUPAC name of 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione (CID 2784298) is 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione?
The canonical SMILES for 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione is CC1=CC(C)(C)NC(=S)N1C.
What is the InChIKey of 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione?
The InChIKey is PJHIWWBQJWTETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6-5-8(2,3)9-7(11)10(6)4/h5H,1-4H3,(H,9,11).
What are the key properties of 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione?
3,4,6,6-tetramethyl-1H-pyrimidine-2-thione has a molecular weight of 170.28 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,6-tetramethyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 2784298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).