1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol

C14H24N4OS — CID 107409102

IUPAC1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
SMILESCCNc1cc(N2CCCC(C)(O)CC2)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-4-15-11-10-12(17-13(16-11)20-3)18-8-5-6-14(2,19)7-9-18/h10,19H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQSOIIZGXPINGNP-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.37
Rot. Bonds4

About 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol

1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol (PubChem CID 107409102) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
PubChem CID107409102
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
SMILESCCNc1cc(N2CCCC(C)(O)CC2)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-4-15-11-10-12(17-13(16-11)20-3)18-8-5-6-14(2,19)7-9-18/h10,19H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyQSOIIZGXPINGNP-UHFFFAOYSA-N
XLogP2.37
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol 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

2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80779556
N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80804466
1-(6-hydrazinyl-2-propylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409168
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-1,4-diazepan-5-one
CID 80830734
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80836949
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide
CID 80785670
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409033
ethane;N-methyl-2-methylsulfanyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 90766757
6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80833597
1-(2,6-diaminopyrimidin-4-yl)-4-methylazepan-4-ol
CID 107409100
4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81107966
1-[6-(ethylamino)imidazo[1,2-a]pyrazin-8-yl]-4-methylazepan-4-ol
CID 107409030

Frequently Asked Questions

What is the IUPAC name of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol?
The IUPAC name of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol (CID 107409102) is 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol is CCNc1cc(N2CCCC(C)(O)CC2)nc(SC)n1.
What is the InChIKey of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol?
The InChIKey is QSOIIZGXPINGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-4-15-11-10-12(17-13(16-11)20-3)18-8-5-6-14(2,19)7-9-18/h10,19H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol?
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol has a molecular weight of 296.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol is sourced from PubChem (CID 107409102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).