6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine

C15H26N4S — CID 107460210

IUPAC6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCSC(C)(C)CC2)c1CC
InChIInChI=1S/C15H26N4S/c1-5-12-13(16-6-2)17-11-18-14(12)19-8-7-15(3,4)20-10-9-19/h11H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyFOKVXMUXOGRDRK-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.19
Rot. Bonds4

About 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine

6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine (PubChem CID 107460210) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine
PubChem CID107460210
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine
SMILESCCNc1ncnc(N2CCSC(C)(C)CC2)c1CC
InChIInChI=1S/C15H26N4S/c1-5-12-13(16-6-2)17-11-18-14(12)19-8-7-15(3,4)20-10-9-19/h11H,5-10H2,1-4H3,(H,16,17,18)
InChIKeyFOKVXMUXOGRDRK-UHFFFAOYSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 107460213
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80805279
1-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81108542
6-(4-butan-2-ylpiperazin-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80803428
4-(7,7-dimethyl-1,4-thiazepan-4-yl)-6-ethoxypyrimidin-5-amine
CID 107452824
6-(8-azaspiro[4.5]decan-8-yl)-N-ethyl-5-methylpyrimidin-4-amine
CID 80831776
5-ethyl-N-propyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80796184
[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80896615
N,5-diethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80833870
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 107459593

Frequently Asked Questions

What is the IUPAC name of 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine?
The IUPAC name of 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine (CID 107460210) is 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine is CCNc1ncnc(N2CCSC(C)(C)CC2)c1CC.
What is the InChIKey of 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine?
The InChIKey is FOKVXMUXOGRDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-5-12-13(16-6-2)17-11-18-14(12)19-8-7-15(3,4)20-10-9-19/h11H,5-10H2,1-4H3,(H,16,17,18).
What are the key properties of 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine?
6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine has a molecular weight of 294.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7,7-dimethyl-1,4-thiazepan-4-yl)-N,5-diethylpyrimidin-4-amine is sourced from PubChem (CID 107460210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).