6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine

C14H17N3OS — CID 40663342

IUPAC6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cccc(OCCSc2nc(C)cc(N)n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(8-10)18-6-7-19-14-16-11(2)9-13(15)17-14/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyCJEMXDANCYQUCD-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.85
Rot. Bonds5

About 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine

6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine (PubChem CID 40663342) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine
PubChem CID40663342
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine
SMILESCc1cccc(OCCSc2nc(C)cc(N)n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(8-10)18-6-7-19-14-16-11(2)9-13(15)17-14/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyCJEMXDANCYQUCD-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-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-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine
CID 47110969
2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine
CID 47095301
5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
CID 43302059
2-(2-phenoxyethylsulfanyl)pyrimidine-4,6-diamine
CID 2291042
2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine
CID 79035514
2-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]aniline
CID 79147343
3-[2-(3-methylphenoxy)ethylsulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 7842661
6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine
CID 115331100
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropoxy]aniline
CID 62304959
3-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropoxy]benzonitrile
CID 62305653
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine (CID 40663342) is 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine is Cc1cccc(OCCSc2nc(C)cc(N)n2)c1.
What is the InChIKey of 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is CJEMXDANCYQUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-4-3-5-12(8-10)18-6-7-19-14-16-11(2)9-13(15)17-14/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine?
6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 40663342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).