6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine

C12H17N5S — CID 80889836

IUPAC6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Sc2cc(C)nn2C)c1C
InChIInChI=1S/C12H17N5S/c1-7-6-10(17(5)16-7)18-12-8(2)11(13-4)14-9(3)15-12/h6H,1-5H3,(H,13,14,15)
InChIKeyZNLCYVYDEPTHGO-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.33
Rot. Bonds3

About 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80889836) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80889836
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Sc2cc(C)nn2C)c1C
InChIInChI=1S/C12H17N5S/c1-7-6-10(17(5)16-7)18-12-8(2)11(13-4)14-9(3)15-12/h6H,1-5H3,(H,13,14,15)
InChIKeyZNLCYVYDEPTHGO-UHFFFAOYSA-N
XLogP2.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80995753
[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001759
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80889068
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80963164
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N,2,5-trimethylpyrimidin-4-amine
CID 115479576
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-5,6-dimethylpyridazine-4-carbonitrile
CID 55071009
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine
CID 80889411
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-pyrimidin-6-one
CID 114791175
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine
CID 66320758
3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine
CID 55208915
[2-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63809693
3-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 80891770

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine (CID 80889836) is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(Sc2cc(C)nn2C)c1C.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is ZNLCYVYDEPTHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-7-6-10(17(5)16-7)18-12-8(2)11(13-4)14-9(3)15-12/h6H,1-5H3,(H,13,14,15).
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine?
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80889836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).