6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione

C12H14N2S2 — CID 106477898

IUPAC6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2cccs2)nc(=S)c1C(C)C
InChIInChI=1S/C12H14N2S2/c1-7(2)10-8(3)13-11(14-12(10)15)9-5-4-6-16-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyDLXQOKVVLSEFDQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.30
Rot. Bonds2

About 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione

6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione (PubChem CID 106477898) has the molecular formula C12H14N2S2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione
PubChem CID106477898
Molecular FormulaC12H14N2S2
Molecular Weight250.39 g/mol
Exact Mass250.06
IUPAC Name6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2cccs2)nc(=S)c1C(C)C
InChIInChI=1S/C12H14N2S2/c1-7(2)10-8(3)13-11(14-12(10)15)9-5-4-6-16-9/h4-7H,1-3H3,(H,13,14,15)
InChIKeyDLXQOKVVLSEFDQ-UHFFFAOYSA-N
XLogP4.30
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-(2-methylphenyl)-2-thiophen-2-yl-1H-imidazole
CID 142168744
ethyl 5-methyl-2-thiophen-2-yl-1H-imidazole-4-carboxylate
CID 70858476
2-thiophen-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477146
6-methyl-2-[(2-methylphenyl)methyl]-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477942
5-bromo-6-cyclopropyl-2-thiophen-2-yl-1H-pyrimidine-4-thione
CID 106480323
2-(3-bromo-5-fluorophenyl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106478036
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069
4-chloro-6-methyl-5-propan-2-yl-2-thiophen-2-ylpyrimidine
CID 62913706
3-thiophen-2-yl-2H-1,2,4-oxadiazole-5-thione
CID 62957740
5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273517
4-(1-methylsulfonylpropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 64644003
2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 135970682

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione (CID 106477898) is 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione is Cc1[nH]c(-c2cccs2)nc(=S)c1C(C)C.
What is the InChIKey of 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione?
The InChIKey is DLXQOKVVLSEFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S2/c1-7(2)10-8(3)13-11(14-12(10)15)9-5-4-6-16-9/h4-7H,1-3H3,(H,13,14,15).
What are the key properties of 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione?
6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione has a molecular weight of 250.39 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).