[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol

C15H19N3O2S — CID 80879432

IUPAC[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCCCNc1cc(Oc2ccc(CO)cc2)nc(SC)n1
InChIInChI=1S/C15H19N3O2S/c1-3-8-16-13-9-14(18-15(17-13)21-2)20-12-6-4-11(10-19)5-7-12/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,17,18)
InChIKeyITFRJJUEFVRADJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.31
Rot. Bonds7

About [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol

[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol (PubChem CID 80879432) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol.

Molecular Properties

Compound Name[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
PubChem CID80879432
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
SMILESCCCNc1cc(Oc2ccc(CO)cc2)nc(SC)n1
InChIInChI=1S/C15H19N3O2S/c1-3-8-16-13-9-14(18-15(17-13)21-2)20-12-6-4-11(10-19)5-7-12/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,17,18)
InChIKeyITFRJJUEFVRADJ-UHFFFAOYSA-N
XLogP3.31
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]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

2-methylsulfanyl-6-(4-methylsulfanylphenoxy)-N-propylpyrimidin-4-amine
CID 80879362
[4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]oxyphenyl]methanol
CID 80871561
[4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871747
6-(3-fluoro-4-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 107171734
[4-[6-methyl-2-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870528
2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80858727
6-(4-bromo-2-methylphenoxy)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80880525
2-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80864961
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
6-phenoxy-N,2-dipropylpyrimidin-4-amine
CID 80949625
2-methylsulfanyl-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877951
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992

Frequently Asked Questions

What is the IUPAC name of [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The IUPAC name of [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol (CID 80879432) is [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol.
What is the SMILES notation for [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The canonical SMILES for [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol is CCCNc1cc(Oc2ccc(CO)cc2)nc(SC)n1.
What is the InChIKey of [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
The InChIKey is ITFRJJUEFVRADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-8-16-13-9-14(18-15(17-13)21-2)20-12-6-4-11(10-19)5-7-12/h4-7,9,19H,3,8,10H2,1-2H3,(H,16,17,18).
What are the key properties of [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol?
[4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol has a molecular weight of 305.40 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]oxyphenyl]methanol is sourced from PubChem (CID 80879432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).