4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine

C11H15N3S — CID 171327993

IUPAC4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)cc(N2CC=CCC2)n1
InChIInChI=1S/C11H15N3S/c1-9-8-10(13-11(12-9)15-2)14-6-4-3-5-7-14/h3-4,8H,5-7H2,1-2H3
InChIKeyMATQVLWOOAYLTP-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.27
Rot. Bonds2

About 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine

4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine (PubChem CID 171327993) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine
PubChem CID171327993
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine
SMILESCSc1nc(C)cc(N2CC=CCC2)n1
InChIInChI=1S/C11H15N3S/c1-9-8-10(13-11(12-9)15-2)14-6-4-3-5-7-14/h3-4,8H,5-7H2,1-2H3
InChIKeyMATQVLWOOAYLTP-UHFFFAOYSA-N
XLogP2.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine (CID 171327993) is 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine is CSc1nc(C)cc(N2CC=CCC2)n1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine?
The InChIKey is MATQVLWOOAYLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9-8-10(13-11(12-9)15-2)14-6-4-3-5-7-14/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine?
4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine has a molecular weight of 221.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridin-1-yl)-6-methyl-2-methylsulfanylpyrimidine is sourced from PubChem (CID 171327993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).