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

C9H8N4S2 — CID 91488835

IUPAC6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(-c2ccnc(=S)[nH]2)[nH]1
InChIInChI=1S/C9H8N4S2/c1-5-4-7(14)13-8(11-5)6-2-3-10-9(15)12-6/h2-4H,1H3,(H,10,12,15)(H,11,13,14)
InChIKeyNYWDYVJFQLCCFC-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.57
Rot. Bonds1

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

6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione (PubChem CID 91488835) has the molecular formula C9H8N4S2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione
PubChem CID91488835
Molecular FormulaC9H8N4S2
Molecular Weight236.33 g/mol
Exact Mass236.02
IUPAC Name6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(-c2ccnc(=S)[nH]2)[nH]1
InChIInChI=1S/C9H8N4S2/c1-5-4-7(14)13-8(11-5)6-2-3-10-9(15)12-6/h2-4H,1H3,(H,10,12,15)(H,11,13,14)
InChIKeyNYWDYVJFQLCCFC-UHFFFAOYSA-N
XLogP2.57
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.57
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

4-Methyl-6-(4-methylpiperazinyl)pyrimidine-2-thiol
CID 2322592
2-methyl-1H-pyrimidine-6-thione;6-methyl-1H-pyrimidine-2-thione
CID 143100003
6-methyl-4-[2-[(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)amino]ethylamino]-1H-pyrimidine-2-thione
CID 15784292
6-methyl-4-[4-(6-methyl-2-sulfanylidene-1H-pyrimidin-4-yl)piperazin-1-yl]-1H-pyrimidine-2-thione
CID 20105247
6-{[2-(diethylamino)ethyl]amino}-4-methylpyrimidine-2(1H)-thione
CID 53491189
4-[2-[(1,6-Dimethyl-2-sulfanylidenepyrimidin-4-yl)amino]ethylamino]-1,6-dimethylpyrimidine-2-thione
CID 76045960
4-(diethylamino)-6-(methylaminomethyl)-1H-pyrimidine-2-thione
CID 83872031
6-(aminomethyl)-4-(diethylamino)-1H-pyrimidine-2-thione
CID 83872032

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione (CID 91488835) is 6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(-c2ccnc(=S)[nH]2)[nH]1.
What is the InChIKey of 6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione?
The InChIKey is NYWDYVJFQLCCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4S2/c1-5-4-7(14)13-8(11-5)6-2-3-10-9(15)12-6/h2-4H,1H3,(H,10,12,15)(H,11,13,14).
What are the key properties of 6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione has a molecular weight of 236.33 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-sulfanylidene-1H-pyrimidin-6-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 91488835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).