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

C10H14N6S — CID 80889961

IUPAC4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2nnc(C)n2C)n1
InChIInChI=1S/C10H14N6S/c1-6-5-8(13-9(11-3)12-6)17-10-15-14-7(2)16(10)4/h5H,1-4H3,(H,11,12,13)
InChIKeyFJBCSCIICKEPRS-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.41
Rot. Bonds3

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

4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine (PubChem CID 80889961) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine
PubChem CID80889961
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine
SMILESCNc1nc(C)cc(Sc2nnc(C)n2C)n1
InChIInChI=1S/C10H14N6S/c1-6-5-8(13-9(11-3)12-6)17-10-15-14-7(2)16(10)4/h5H,1-4H3,(H,11,12,13)
InChIKeyFJBCSCIICKEPRS-UHFFFAOYSA-N
XLogP1.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,4-dimethyl-6-methylsulfanylpyrimidin-2-amine
CID 911699
N,4-dimethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-2-amine
CID 80891727
4-ethylsulfanyl-N,6-dimethylpyrimidin-2-amine
CID 80888720
N,4-dimethyl-6-naphthalen-2-ylsulfanylpyrimidin-2-amine
CID 80884550
N,4-dimethyl-6-pyridin-2-ylsulfanylpyrimidin-2-amine
CID 80883368
4-methyl-6-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidine
CID 133495211
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 80647721
2-cyclopropyl-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80962431
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethylpyridine-3-carbonitrile
CID 81052450
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-fluoropyrimidine
CID 164645400
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-ethylpyrimidin-4-amine
CID 80889019

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine (CID 80889961) is 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine is CNc1nc(C)cc(Sc2nnc(C)n2C)n1.
What is the InChIKey of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine?
The InChIKey is FJBCSCIICKEPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-6-5-8(13-9(11-3)12-6)17-10-15-14-7(2)16(10)4/h5H,1-4H3,(H,11,12,13).
What are the key properties of 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine?
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80889961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).