2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione

C10H12N4S2 — CID 143100003

IUPAC2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione
SMILESCc1ccnc(=S)[nH]1.Cc1nccc(=S)[nH]1
InChIInChI=1S/2C5H6N2S/c1-4-6-3-2-5(8)7-4;1-4-2-3-6-5(8)7-4/h2*2-3H,1H3,(H,6,7,8)
InChIKeyGYVVUCGEKZCTIL-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.90
Rot. Bonds

About 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione

2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione (PubChem CID 143100003) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione
PubChem CID143100003
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione
SMILESCc1ccnc(=S)[nH]1.Cc1nccc(=S)[nH]1
InChIInChI=1S/2C5H6N2S/c1-4-6-3-2-5(8)7-4;1-4-2-3-6-5(8)7-4/h2*2-3H,1H3,(H,6,7,8)
InChIKeyGYVVUCGEKZCTIL-UHFFFAOYSA-N
XLogP2.90
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione
CID 91488835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione?
The IUPAC name of 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione (CID 143100003) is 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione?
The canonical SMILES for 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione is Cc1ccnc(=S)[nH]1.Cc1nccc(=S)[nH]1.
What is the InChIKey of 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione?
The InChIKey is GYVVUCGEKZCTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H6N2S/c1-4-6-3-2-5(8)7-4;1-4-2-3-6-5(8)7-4/h2*2-3H,1H3,(H,6,7,8).
What are the key properties of 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione?
2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione has a molecular weight of 252.37 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 143100003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).