1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane

C18H24N4S — CID 133394955

IUPAC1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
SMILESCCc1cc(N2CCCCC(SC)C2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H24N4S/c1-3-14-12-17(22-11-7-5-8-15(13-22)23-2)21-18(20-14)16-9-4-6-10-19-16/h4,6,9-10,12,15H,3,5,7-8,11,13H2,1-2H3
InChIKeyLLCJZHVWMKQOJM-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.82
Rot. Bonds4

About 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane

1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane (PubChem CID 133394955) has the molecular formula C18H24N4S and a molecular weight of 328.48 g/mol. Its IUPAC name is 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane.

Molecular Properties

Compound Name1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
PubChem CID133394955
Molecular FormulaC18H24N4S
Molecular Weight328.48 g/mol
Exact Mass328.17
IUPAC Name1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane
SMILESCCc1cc(N2CCCCC(SC)C2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H24N4S/c1-3-14-12-17(22-11-7-5-8-15(13-22)23-2)21-18(20-14)16-9-4-6-10-19-16/h4,6,9-10,12,15H,3,5,7-8,11,13H2,1-2H3
InChIKeyLLCJZHVWMKQOJM-UHFFFAOYSA-N
XLogP3.82
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethyl-2-pyridin-2-yl-6-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95300952
2-(2-chlorophenyl)-4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)morpholine
CID 133294593
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-4-(6-methylpyridazin-3-yl)-1,4-diazepane
CID 133294829
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
CID 133294367
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133291472
[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 133290790
4-ethyl-6-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-2-ylpyrimidine
CID 133295051
8-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 133298055
2-[[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 133294894
2-[4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-1,3-benzoxazole
CID 133294868
N-(1-cyclopentylpyrrolidin-3-yl)-6-ethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 127299851
1-[[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-2-yl]methyl]-3-phenylurea
CID 133397011

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane?
The IUPAC name of 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane (CID 133394955) is 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane.
What is the SMILES notation for 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane?
The canonical SMILES for 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane is CCc1cc(N2CCCCC(SC)C2)nc(-c2ccccn2)n1.
What is the InChIKey of 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane?
The InChIKey is LLCJZHVWMKQOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-3-14-12-17(22-11-7-5-8-15(13-22)23-2)21-18(20-14)16-9-4-6-10-19-16/h4,6,9-10,12,15H,3,5,7-8,11,13H2,1-2H3.
What are the key properties of 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane?
1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane has a molecular weight of 328.48 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-3-methylsulfanylazepane is sourced from PubChem (CID 133394955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).