2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine

C15H19N3O2S — CID 78909887

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(CSc2nc(C)cc(N)n2)cc1OC
InChIInChI=1S/C15H19N3O2S/c1-9-5-12(19-3)13(20-4)7-11(9)8-21-15-17-10(2)6-14(16)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeySDHLXKKKMYSPDZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.99
Rot. Bonds5

About 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine

2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine (PubChem CID 78909887) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
PubChem CID78909887
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(CSc2nc(C)cc(N)n2)cc1OC
InChIInChI=1S/C15H19N3O2S/c1-9-5-12(19-3)13(20-4)7-11(9)8-21-15-17-10(2)6-14(16)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeySDHLXKKKMYSPDZ-UHFFFAOYSA-N
XLogP2.99
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Benzyl-2-[(3-methoxybenzyl)sulfanyl]pyrimidin-4-amine
CID 44816908
2-(3-Methoxybenzylthio)pyrimidine-4,6-diamine
CID 686956
(2E)-3-(3,4-dimethoxyphenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
CID 750489
4-Methyl-6-{[2-(3-methylphenoxy)ethyl]thio}-2-pyrimidinamine
CID 2175572
4-Methyl-6-{[2-(4-methylphenoxy)ethyl]thio}-2-pyrimidinamine
CID 2178563
N'-[(1E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetohydrazide
CID 9640747
[3-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-propyl]-(2-ethoxy-3-methoxy-benzyl)-amine
CID 17123421
4-[4,6-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]pyrimidin-2-yl]oxybutyl carbamimidothioate;hydrobromide
CID 162671641
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 2725572
4,6-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-N-ethylpyrimidin-2-amine
CID 60161492
4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-6-methylsulfanylpyrimidin-2-amine
CID 72163453
4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylsulfanylpyrimidin-2-amine
CID 72163454

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine (CID 78909887) is 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine is COc1cc(C)c(CSc2nc(C)cc(N)n2)cc1OC.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
The InChIKey is SDHLXKKKMYSPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9-5-12(19-3)13(20-4)7-11(9)8-21-15-17-10(2)6-14(16)18-15/h5-7H,8H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine?
2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine has a molecular weight of 305.40 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 78909887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).