2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine

C14H17N3S — CID 139716740

IUPAC2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine
SMILESCCCc1cc(SC)nc(-c2cccc(C)n2)n1
InChIInChI=1S/C14H17N3S/c1-4-6-11-9-13(18-3)17-14(16-11)12-8-5-7-10(2)15-12/h5,7-9H,4,6H2,1-3H3
InChIKeyQSFQWLSFUUIWBU-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.52
Rot. Bonds4

About 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine

2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine (PubChem CID 139716740) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine.

Molecular Properties

Compound Name2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine
PubChem CID139716740
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine
SMILESCCCc1cc(SC)nc(-c2cccc(C)n2)n1
InChIInChI=1S/C14H17N3S/c1-4-6-11-9-13(18-3)17-14(16-11)12-8-5-7-10(2)15-12/h5,7-9H,4,6H2,1-3H3
InChIKeyQSFQWLSFUUIWBU-UHFFFAOYSA-N
XLogP3.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine?
The IUPAC name of 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine (CID 139716740) is 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine.
What is the SMILES notation for 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine?
The canonical SMILES for 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine is CCCc1cc(SC)nc(-c2cccc(C)n2)n1.
What is the InChIKey of 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine?
The InChIKey is QSFQWLSFUUIWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-4-6-11-9-13(18-3)17-14(16-11)12-8-5-7-10(2)15-12/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine?
2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine has a molecular weight of 259.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-pyridinyl)-4-methylsulfanyl-6-propylpyrimidine is sourced from PubChem (CID 139716740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).