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

C13H15N3S — CID 106517774

IUPAC5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione
SMILESCc1c(-c2ccccn2)[nH]c(C(C)C)nc1=S
InChIInChI=1S/C13H15N3S/c1-8(2)12-15-11(9(3)13(17)16-12)10-6-4-5-7-14-10/h4-8H,1-3H3,(H,15,16,17)
InChIKeyRLUIKPNWCPJJNB-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.63
Rot. Bonds2

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

5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione (PubChem CID 106517774) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione
PubChem CID106517774
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione
SMILESCc1c(-c2ccccn2)[nH]c(C(C)C)nc1=S
InChIInChI=1S/C13H15N3S/c1-8(2)12-15-11(9(3)13(17)16-12)10-6-4-5-7-14-10/h4-8H,1-3H3,(H,15,16,17)
InChIKeyRLUIKPNWCPJJNB-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.63
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

2,5-dimethyl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 106517813
6-(2-chlorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515442
5-methyl-2-propan-2-yl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-thione
CID 106516763
5-methyl-2-propan-2-yl-6-(2,3,4-trifluorophenyl)-1H-pyrimidine-4-thione
CID 106517645
6-(4-fluoro-3-methylphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106515067
6-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106521028
6-(5-fluoro-2-methoxyphenyl)-5-methyl-2-propan-2-yl-1H-pyrimidine-4-thione
CID 106518318
2-methyl-6-pyridin-2-yl-1H-pyrimidine-4-thione
CID 53330998
5-propan-2-yl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521332
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
4-methyl-5-pyridin-2-yl-3H-1,3-thiazole-2-thione
CID 82161852
5-methyl-4-pyridin-2-yl-3H-1,3-thiazol-2-one
CID 55265010

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione (CID 106517774) is 5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione is Cc1c(-c2ccccn2)[nH]c(C(C)C)nc1=S.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione?
The InChIKey is RLUIKPNWCPJJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-8(2)12-15-11(9(3)13(17)16-12)10-6-4-5-7-14-10/h4-8H,1-3H3,(H,15,16,17).
What are the key properties of 5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione?
5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione has a molecular weight of 245.35 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-pyridin-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106517774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).