6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione

C7H12N2S — CID 134612584

IUPAC6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC(C)C1=CCNC(=S)N1
InChIInChI=1S/C7H12N2S/c1-5(2)6-3-4-8-7(10)9-6/h3,5H,4H2,1-2H3,(H2,8,9,10)
InChIKeyUBGXSQFKPWNYPM-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.00
Rot. Bonds1

About 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione

6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione (PubChem CID 134612584) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione
PubChem CID134612584
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione
SMILESCC(C)C1=CCNC(=S)N1
InChIInChI=1S/C7H12N2S/c1-5(2)6-3-4-8-7(10)9-6/h3,5H,4H2,1-2H3,(H2,8,9,10)
InChIKeyUBGXSQFKPWNYPM-UHFFFAOYSA-N
XLogP1.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
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
3,4-Dihydro-1,4,4,6-tetramethyl-2(1H)-pyrimidinethione
CID 2784298
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
6-methyl-4-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione
CID 122188618
Dihydro-6-methyl-2(1H)-pyrimidinthion
CID 13134055
1,3,4,6-Tetramethyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882203
4,6-Dimethyl-1,3-dipropyl-1,4-dihydropyrimidin-1-ium-2-thione chloride
CID 87882205
3,4,4,6-tetramethyl-3,4-dihydro-2(1H)-pyrimidinethione
CID 1477001
1-Ethyl-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1H)-thione
CID 12265703
4,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 55286542

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione?
The IUPAC name of 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione (CID 134612584) is 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione.
What is the SMILES notation for 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione?
The canonical SMILES for 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione is CC(C)C1=CCNC(=S)N1.
What is the InChIKey of 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione?
The InChIKey is UBGXSQFKPWNYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-5(2)6-3-4-8-7(10)9-6/h3,5H,4H2,1-2H3,(H2,8,9,10).
What are the key properties of 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione?
6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione has a molecular weight of 156.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3,4-dihydro-1H-pyrimidine-2-thione is sourced from PubChem (CID 134612584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).