6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine

C13H19N5S — CID 80963164

IUPAC6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(Sc2cc(C)nn2C)nc(C(C)C)n1
InChIInChI=1S/C13H19N5S/c1-8(2)13-15-10(14-4)7-11(16-13)19-12-6-9(3)17-18(12)5/h6-8H,1-5H3,(H,14,15,16)
InChIKeyXWKKOHJPCQZHGR-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.83
Rot. Bonds4

About 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80963164) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80963164
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(Sc2cc(C)nn2C)nc(C(C)C)n1
InChIInChI=1S/C13H19N5S/c1-8(2)13-15-10(14-4)7-11(16-13)19-12-6-9(3)17-18(12)5/h6-8H,1-5H3,(H,14,15,16)
InChIKeyXWKKOHJPCQZHGR-UHFFFAOYSA-N
XLogP2.83
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-propan-2-ylpyrimidin-4-amine
CID 113431996
6-ethylsulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962306
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888807
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-N-propylpyrimidine-2,4-diamine
CID 80888805
3-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80963523
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80889068
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine
CID 80663969
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine
CID 80889836
6-N-methyl-2-propan-2-yl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80959085
3-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 80963754
2-tert-butyl-6-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 80963065
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-propan-2-yloxypyridin-3-amine
CID 55070537

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80963164) is 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine is CNc1cc(Sc2cc(C)nn2C)nc(C(C)C)n1.
What is the InChIKey of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is XWKKOHJPCQZHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-8(2)13-15-10(14-4)7-11(16-13)19-12-6-9(3)17-18(12)5/h6-8H,1-5H3,(H,14,15,16).
What are the key properties of 6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 277.40 g/mol, XLogP of 2.83, 4 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-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80963164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).