5-butyl-6-methyl-1H-pyrimidine-2-thione

C9H14N2S — CID 154357950

IUPAC5-butyl-6-methyl-1H-pyrimidine-2-thione
SMILESCCCCc1cnc(=S)[nH]c1C
InChIInChI=1S/C9H14N2S/c1-3-4-5-8-6-10-9(12)11-7(8)2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyPRTBPFVCPHBDLD-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.79
Rot. Bonds3

About 5-butyl-6-methyl-1H-pyrimidine-2-thione

5-butyl-6-methyl-1H-pyrimidine-2-thione (PubChem CID 154357950) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-butyl-6-methyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-butyl-6-methyl-1H-pyrimidine-2-thione
PubChem CID154357950
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-butyl-6-methyl-1H-pyrimidine-2-thione
SMILESCCCCc1cnc(=S)[nH]c1C
InChIInChI=1S/C9H14N2S/c1-3-4-5-8-6-10-9(12)11-7(8)2/h6H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyPRTBPFVCPHBDLD-UHFFFAOYSA-N
XLogP2.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 83817339
6-butyl-5-fluoro-1H-pyrimidine-2-thione
CID 106659470
5-butyl-2-methyl-1H-pyrimidin-6-one
CID 154318485
3-butyl-4-methylquinoline
CID 153439338
3,4,5-tributylpyridine
CID 173010708
5-butyl-4-methylpyridin-2-amine
CID 106659105
5-butyl-4-(4-hydroxyphenyl)-6-methyl-1H-pyrimidine-2-thione
CID 175113259
1-(2-aminophenyl)-2,2-dimethylpropan-1-one;5-ethyl-6-methyl-1H-pyrimidine-2-thione
CID 21278608
5-butyl-2-methyl-1H-imidazole;phosphane;hydrochloride
CID 70249249
2-(6-ethyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid
CID 84668331
2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole
CID 172810677
2-butyl-5-methylpyrazine
CID 6428803

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-methyl-1H-pyrimidine-2-thione?
The IUPAC name of 5-butyl-6-methyl-1H-pyrimidine-2-thione (CID 154357950) is 5-butyl-6-methyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-butyl-6-methyl-1H-pyrimidine-2-thione?
The canonical SMILES for 5-butyl-6-methyl-1H-pyrimidine-2-thione is CCCCc1cnc(=S)[nH]c1C.
What is the InChIKey of 5-butyl-6-methyl-1H-pyrimidine-2-thione?
The InChIKey is PRTBPFVCPHBDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-4-5-8-6-10-9(12)11-7(8)2/h6H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 5-butyl-6-methyl-1H-pyrimidine-2-thione?
5-butyl-6-methyl-1H-pyrimidine-2-thione has a molecular weight of 182.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-methyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 154357950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).