1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine

C12H17N5S — CID 55262130

IUPAC1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)c(Sc2ccncn2)c1CC(C)N
InChIInChI=1S/C12H17N5S/c1-8(13)6-10-9(2)16-17(3)12(10)18-11-4-5-14-7-15-11/h4-5,7-8H,6,13H2,1-3H3
InChIKeySZDICFZONQRRIL-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.56
Rot. Bonds4

About 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine

1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine (PubChem CID 55262130) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine
PubChem CID55262130
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(C)c(Sc2ccncn2)c1CC(C)N
InChIInChI=1S/C12H17N5S/c1-8(13)6-10-9(2)16-17(3)12(10)18-11-4-5-14-7-15-11/h4-5,7-8H,6,13H2,1-3H3
InChIKeySZDICFZONQRRIL-UHFFFAOYSA-N
XLogP1.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine (CID 55262130) is 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine is Cc1nn(C)c(Sc2ccncn2)c1CC(C)N.
What is the InChIKey of 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine?
The InChIKey is SZDICFZONQRRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c1-8(13)6-10-9(2)16-17(3)12(10)18-11-4-5-14-7-15-11/h4-5,7-8H,6,13H2,1-3H3.
What are the key properties of 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine?
1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine has a molecular weight of 263.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 55262130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).