6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine

C11H16N6S — CID 80888807

IUPAC6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(Sc2cc(C)nn2C)nc(N)n1
InChIInChI=1S/C11H16N6S/c1-4-13-8-6-9(15-11(12)14-8)18-10-5-7(2)16-17(10)3/h5-6H,4H2,1-3H3,(H3,12,13,14,15)
InChIKeyKLQGWBYTLLUKAG-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.68
Rot. Bonds4

About 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine (PubChem CID 80888807) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
PubChem CID80888807
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1cc(Sc2cc(C)nn2C)nc(N)n1
InChIInChI=1S/C11H16N6S/c1-4-13-8-6-9(15-11(12)14-8)18-10-5-7(2)16-17(10)3/h5-6H,4H2,1-3H3,(H3,12,13,14,15)
InChIKeyKLQGWBYTLLUKAG-UHFFFAOYSA-N
XLogP1.68
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
CID 80888805
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80892286
4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
CID 80892050
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 80963065
3-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107785259
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80963164
6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888448
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753
methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
CID 80885529
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine
CID 80663969
6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine
CID 62409540
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine (CID 80888807) is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine is CCNc1cc(Sc2cc(C)nn2C)nc(N)n1.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine?
The InChIKey is KLQGWBYTLLUKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-4-13-8-6-9(15-11(12)14-8)18-10-5-7(2)16-17(10)3/h5-6H,4H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine?
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine has a molecular weight of 264.36 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80888807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).