6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine

C10H14N6S — CID 80889019

IUPAC6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2nnc(C)n2C)ncn1
InChIInChI=1S/C10H14N6S/c1-4-11-8-5-9(13-6-12-8)17-10-15-14-7(2)16(10)3/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyRHRRPWXTGPLXNK-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.50
Rot. Bonds4

About 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine

6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine (PubChem CID 80889019) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
PubChem CID80889019
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2nnc(C)n2C)ncn1
InChIInChI=1S/C10H14N6S/c1-4-11-8-5-9(13-6-12-8)17-10-15-14-7(2)16(10)3/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyRHRRPWXTGPLXNK-UHFFFAOYSA-N
XLogP1.50
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine with MolForge

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Related Compounds

2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80962431
6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80883538
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine
CID 113368229
N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882443
6-[(5-chloro-2-pyridinyl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80890451
2-[[6-[(4-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-yl]amino]ethanol
CID 122559559
N-ethyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892293
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726288
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine
CID 80889961
2-methyl-3-[6-(propylamino)pyrimidin-4-yl]sulfanyl-1H-1,2,4-triazine-5,6-dione
CID 107785258
tert-butyl 2-[6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
CID 116688327
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 80647721

Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine (CID 80889019) is 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine is CCNc1cc(Sc2nnc(C)n2C)ncn1.
What is the InChIKey of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine?
The InChIKey is RHRRPWXTGPLXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-4-11-8-5-9(13-6-12-8)17-10-15-14-7(2)16(10)3/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine?
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine has a molecular weight of 250.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80889019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).