2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine

C13H15N3OS — CID 23293958

IUPAC2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(OCc2cccc(C)c2)n1
InChIInChI=1S/C13H15N3OS/c1-9-4-3-5-10(6-9)8-17-13-15-11(14)7-12(16-13)18-2/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyKGOXIHMWIRLBDL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.67
Rot. Bonds4

About 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine

2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 23293958) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine
PubChem CID23293958
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(OCc2cccc(C)c2)n1
InChIInChI=1S/C13H15N3OS/c1-9-4-3-5-10(6-9)8-17-13-15-11(14)7-12(16-13)18-2/h3-7H,8H2,1-2H3,(H2,14,15,16)
InChIKeyKGOXIHMWIRLBDL-UHFFFAOYSA-N
XLogP2.67
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-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

6-[(4-Methoxybenzyl)sulfanyl]pyrimidine-2,4-Diamine
CID 25113144
6-Chloro-2-(m-tolylmethoxy)pyrimidin-4-amine
CID 470507
6-(Benzyloxy)-2-(methylsulfanyl)pyrimidin-4-amine
CID 308580
2-sec-Butoxy-6-(3,5-dimethyl-phenylsulfanyl)-pyrimidin-4-ylamine
CID 478108
2-sec-Butoxy-6-m-tolylsulfanyl-pyrimidin-4-ylamine
CID 478109
6-Phenylmethoxy-2-propylsulfanylpyrimidin-4-amine
CID 24823757
2-(Benzyloxy)-6-fluoropyrimidin-4-amine
CID 19610691
[4-(4,6-Diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]methanol
CID 55237968
(1S)-1-[2-(4,6-diaminopyrimidin-2-yl)sulfanyl-6-fluorophenyl]ethanol
CID 55238159
(1S)-1-[4-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-fluorophenyl]ethanol
CID 55240833
(1R)-1-[2-(4,6-diaminopyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol
CID 63835011
1-[2-(4,6-Diaminopyrimidin-2-yl)sulfanyl-5-fluorophenyl]ethanol
CID 63835104

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine (CID 23293958) is 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine is CSc1cc(N)nc(OCc2cccc(C)c2)n1.
What is the InChIKey of 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is KGOXIHMWIRLBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-4-3-5-10(6-9)8-17-13-15-11(14)7-12(16-13)18-2/h3-7H,8H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine?
2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methoxy]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 23293958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).