4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine

C14H17N3O2S — CID 115354984

IUPAC4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCSc2ccccc2)n1
InChIInChI=1S/C14H17N3O2S/c1-18-12-10-13(19-2)17-14(16-12)15-8-9-20-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,17)
InChIKeySLHBUWBPLZFIEK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.70
Rot. Bonds7

About 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine

4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine (PubChem CID 115354984) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
PubChem CID115354984
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCCSc2ccccc2)n1
InChIInChI=1S/C14H17N3O2S/c1-18-12-10-13(19-2)17-14(16-12)15-8-9-20-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,17)
InChIKeySLHBUWBPLZFIEK-UHFFFAOYSA-N
XLogP2.70
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
CID 115974555
6-methoxy-N-(2-phenylsulfanylethyl)pyridin-3-amine
CID 79213880
5-methyl-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 63208478
3-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 103824456
4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
CID 106430202
3,4-dimethoxy-N-(2-phenylsulfanylethyl)aniline
CID 79213147
N'-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355310
N-[2-(2,6-dimethylphenoxy)ethyl]-4,6-dimethoxypyrimidin-2-amine
CID 141283349
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
2-methoxy-5-methyl-N-(2-phenylsulfanylethyl)aniline
CID 79213571
(1S)-1-(4-methoxyphenyl)-N-(2-phenylsulfanylethyl)ethanamine
CID 81370951
3-chloro-5,6-dimethyl-N-(2-phenylsulfanylethyl)pyrazin-2-amine
CID 106193058

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine (CID 115354984) is 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine is COc1cc(OC)nc(NCCSc2ccccc2)n1.
What is the InChIKey of 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine?
The InChIKey is SLHBUWBPLZFIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-18-12-10-13(19-2)17-14(16-12)15-8-9-20-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine?
4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine has a molecular weight of 291.38 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine is sourced from PubChem (CID 115354984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).