5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine

C14H24N4S — CID 80796184

IUPAC5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCSCC2)c1CC
InChIInChI=1S/C14H24N4S/c1-3-6-15-13-12(4-2)14(17-11-16-13)18-7-5-9-19-10-8-18/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyFWCYOFKBKKFRES-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.80
Rot. Bonds5

About 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine

5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine (PubChem CID 80796184) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
PubChem CID80796184
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
SMILESCCCNc1ncnc(N2CCCSCC2)c1CC
InChIInChI=1S/C14H24N4S/c1-3-6-15-13-12(4-2)14(17-11-16-13)18-7-5-9-19-10-8-18/h11H,3-10H2,1-2H3,(H,15,16,17)
InChIKeyFWCYOFKBKKFRES-UHFFFAOYSA-N
XLogP2.80
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine 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

[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80896615
5-ethyl-6-(4-methylazepan-1-yl)-N-propylpyrimidin-4-amine
CID 80833890
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80831098
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795778
5-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80797289
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
5-ethyl-6-(2-ethylmorpholin-4-yl)-N-propylpyrimidin-4-amine
CID 80786757
1-[1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 115967433
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine
CID 107460210
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80826867
5-ethyl-6-(2-propan-2-ylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80855516

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine (CID 80796184) is 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine is CCCNc1ncnc(N2CCCSCC2)c1CC.
What is the InChIKey of 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
The InChIKey is FWCYOFKBKKFRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-3-6-15-13-12(4-2)14(17-11-16-13)18-7-5-9-19-10-8-18/h11H,3-10H2,1-2H3,(H,15,16,17).
What are the key properties of 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine?
5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine has a molecular weight of 280.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 80796184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).