4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine

C11H14N6S — CID 80892050

IUPAC4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
SMILESCCNc1cc(Sc2nccc(C)n2)nc(N)n1
InChIInChI=1S/C11H14N6S/c1-3-13-8-6-9(17-10(12)16-8)18-11-14-5-4-7(2)15-11/h4-6H,3H2,1-2H3,(H3,12,13,16,17)
InChIKeyJAZKWRRTLIAYAQ-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.74
Rot. Bonds4

About 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine

4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine (PubChem CID 80892050) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
PubChem CID80892050
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
SMILESCCNc1cc(Sc2nccc(C)n2)nc(N)n1
InChIInChI=1S/C11H14N6S/c1-3-13-8-6-9(17-10(12)16-8)18-11-14-5-4-7(2)15-11/h4-6H,3H2,1-2H3,(H3,12,13,16,17)
InChIKeyJAZKWRRTLIAYAQ-UHFFFAOYSA-N
XLogP1.74
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80892286
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888807
[2-(methoxymethyl)-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-yl]hydrazine
CID 113402011
6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888448
6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775121
N-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775119
6-(4-methylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 62267843
4-N-ethyl-6-(2-nitrophenyl)sulfanylpyrimidine-2,4-diamine
CID 80884456
[6-(4-methylpyrimidin-2-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721413
3-ethoxy-5-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 80738164
2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80891744
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
CID 80888805

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine (CID 80892050) is 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine is CCNc1cc(Sc2nccc(C)n2)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine?
The InChIKey is JAZKWRRTLIAYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-3-13-8-6-9(17-10(12)16-8)18-11-14-5-4-7(2)15-11/h4-6H,3H2,1-2H3,(H3,12,13,16,17).
What are the key properties of 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine?
4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine has a molecular weight of 262.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 80892050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).