5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione

C17H17N3S — CID 106519775

IUPAC5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)c(C)c(-c2ccc3cccnc3c2)[nH]1
InChIInChI=1S/C17H17N3S/c1-3-5-15-19-16(11(2)17(21)20-15)13-8-7-12-6-4-9-18-14(12)10-13/h4,6-10H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyIMRPADDUGUNNCP-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.62
Rot. Bonds3

About 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione

5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione (PubChem CID 106519775) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
PubChem CID106519775
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
SMILESCCCc1nc(=S)c(C)c(-c2ccc3cccnc3c2)[nH]1
InChIInChI=1S/C17H17N3S/c1-3-5-15-19-16(11(2)17(21)20-15)13-8-7-12-6-4-9-18-14(12)10-13/h4,6-10H,3,5H2,1-2H3,(H,19,20,21)
InChIKeyIMRPADDUGUNNCP-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.62
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-6-(3-methylphenyl)-2-propyl-1H-pyrimidine-4-thione
CID 106515365
6-(3-ethylphenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106519407
5-methyl-6-quinolin-7-yl-1H-pyrimidine-4-thione
CID 106519751
2-ethyl-5-methyl-6-naphthalen-2-yl-1H-pyrimidine-4-thione
CID 106514830
6-(3,5-dichlorophenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106522685
2-ethyl-5-methyl-6-(2-methyl-4-pyridinyl)-1H-pyrimidine-4-thione
CID 106521422
6-(3-chloro-5-fluorophenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106521142
6-(1-benzothiophen-7-yl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106519841
6-(2,3-difluorophenyl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106518243
6-(7-chloro-1-benzofuran-2-yl)-5-methyl-2-propyl-1H-pyrimidine-4-thione
CID 106521975
6-(3-cyclobutylphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106522451
6-(4-chloro-3-methoxyphenyl)-2-ethyl-5-methyl-1H-pyrimidine-4-thione
CID 106518971

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione (CID 106519775) is 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione is CCCc1nc(=S)c(C)c(-c2ccc3cccnc3c2)[nH]1.
What is the InChIKey of 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione?
The InChIKey is IMRPADDUGUNNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-3-5-15-19-16(11(2)17(21)20-15)13-8-7-12-6-4-9-18-14(12)10-13/h4,6-10H,3,5H2,1-2H3,(H,19,20,21).
What are the key properties of 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione?
5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione has a molecular weight of 295.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propyl-6-quinolin-7-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106519775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).