6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine

C12H16N6S — CID 80892286

IUPAC6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(Sc2nc(C)cc(C)n2)nc(N)n1
InChIInChI=1S/C12H16N6S/c1-4-14-9-6-10(18-11(13)17-9)19-12-15-7(2)5-8(3)16-12/h5-6H,4H2,1-3H3,(H3,13,14,17,18)
InChIKeyQQBXASKEMGRNIS-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.05
Rot. Bonds4

About 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine

6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 80892286) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
PubChem CID80892286
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(Sc2nc(C)cc(C)n2)nc(N)n1
InChIInChI=1S/C12H16N6S/c1-4-14-9-6-10(18-11(13)17-9)19-12-15-7(2)5-8(3)16-12/h5-6H,4H2,1-3H3,(H3,13,14,17,18)
InChIKeyQQBXASKEMGRNIS-UHFFFAOYSA-N
XLogP2.05
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
CID 80892050
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888807
2-[6-(ethylamino)-2-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80943080
6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888448
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
3-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785259
4-N-ethyl-6-(2-nitrophenyl)sulfanylpyrimidine-2,4-diamine
CID 80884456
methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
CID 80885529
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
CID 80888805
N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80891327
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine (CID 80892286) is 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(Sc2nc(C)cc(C)n2)nc(N)n1.
What is the InChIKey of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is QQBXASKEMGRNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-4-14-9-6-10(18-11(13)17-9)19-12-15-7(2)5-8(3)16-12/h5-6H,4H2,1-3H3,(H3,13,14,17,18).
What are the key properties of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine?
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 276.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80892286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).