[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol

C14H17N3O2S — CID 28905124

IUPAC[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCCOc1ccc(Nc2nc(SC)ncc2CO)cc1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12-6-4-11(5-7-12)16-13-10(9-18)8-15-14(17-13)20-2/h4-8,18H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyTWRDQQQYUGUCTJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.83
Rot. Bonds6

About [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol

[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol (PubChem CID 28905124) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol
PubChem CID28905124
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol
SMILESCCOc1ccc(Nc2nc(SC)ncc2CO)cc1
InChIInChI=1S/C14H17N3O2S/c1-3-19-12-6-4-11(5-7-12)16-13-10(9-18)8-15-14(17-13)20-2/h4-8,18H,3,9H2,1-2H3,(H,15,16,17)
InChIKeyTWRDQQQYUGUCTJ-UHFFFAOYSA-N
XLogP2.83
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol 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

1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
ethyl 4-[4-(4,6-dimethylpyrimidin-2-yl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 108777214
4-N-(4-ethoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769010
N-(4-ethoxyphenyl)-2-[4-(4-fluoroanilino)quinazolin-2-yl]sulfanylacetamide
CID 5142311
1-[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]-3-(2-methoxyphenyl)urea
CID 142058599
[2-ethylsulfanyl-4-(methylamino)pyrimidin-5-yl]methanol
CID 130836029
N-(4-ethoxyphenyl)-2-methylsulfanyl-9-(oxan-2-yl)purin-6-amine
CID 146574792
N-(4-ethoxyphenyl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 80927038
5-bromo-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 54603924
3-[[5-(hydroxymethyl)-2-methylsulfanylpyrimidin-4-yl]amino]-2-methylcyclohexan-1-ol
CID 138457357
4-chloro-N-(4-ethoxyphenyl)-1,2,5-thiadiazol-3-amine
CID 43426956
N-(4-ethoxyphenyl)-2-phenylquinazolin-4-amine
CID 2459759

Frequently Asked Questions

What is the IUPAC name of [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol (CID 28905124) is [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol is CCOc1ccc(Nc2nc(SC)ncc2CO)cc1.
What is the InChIKey of [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol?
The InChIKey is TWRDQQQYUGUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-3-19-12-6-4-11(5-7-12)16-13-10(9-18)8-15-14(17-13)20-2/h4-8,18H,3,9H2,1-2H3,(H,15,16,17).
What are the key properties of [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol?
[4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol has a molecular weight of 291.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethoxyanilino)-2-methylsulfanylpyrimidin-5-yl]methanol is sourced from PubChem (CID 28905124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).