6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine

C13H15N3OS — CID 47110969

IUPAC6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCOc2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-10-9-12(14)16-13(15-10)18-8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16)
InChIKeyCQUGDSZCMPSVJF-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.54
Rot. Bonds5

About 6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine

6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine (PubChem CID 47110969) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine
PubChem CID47110969
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine
SMILESCc1cc(N)nc(SCCOc2ccccc2)n1
InChIInChI=1S/C13H15N3OS/c1-10-9-12(14)16-13(15-10)18-8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16)
InChIKeyCQUGDSZCMPSVJF-UHFFFAOYSA-N
XLogP2.54
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenoxyethylsulfanyl)pyrimidine-4,6-diamine
CID 2291042
6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine
CID 40663342
2-[2-(2-ethoxyphenoxy)ethylsulfanyl]-6-methylpyrimidin-4-amine
CID 79035514
4-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropoxy]aniline
CID 62304959
4-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethoxy]benzoic acid
CID 62304780
2-[2-(4-bromophenoxy)ethylsulfanyl]pyrimidine-4,6-diamine
CID 4788587
6-methyl-2-[2-(trifluoromethoxy)ethylsulfanyl]pyrimidin-4-amine
CID 115331100
4-methyl-6-[3-(2-phenoxyethylsulfanyl)diazirin-1-yl]pyrimidin-2-amine
CID 27377839
2-[2-(2-methoxyphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine
CID 3142408
2-(2-fluoroethylsulfanyl)-6-methylpyrimidin-4-amine
CID 79026200
5-methyl-2-(2-phenoxyethylsulfanyl)aniline
CID 43302590
4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylethoxy]-N,N-dimethylbenzenesulfonamide
CID 166435612

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine (CID 47110969) is 6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine is Cc1cc(N)nc(SCCOc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine?
The InChIKey is CQUGDSZCMPSVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-9-12(14)16-13(15-10)18-8-7-17-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16).
What are the key properties of 6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine?
6-methyl-2-(2-phenoxyethylsulfanyl)pyrimidin-4-amine has a molecular weight of 261.35 g/mol, XLogP of 2.54, 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-phenoxyethylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 47110969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).