2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine

C13H17N5S — CID 80890051

IUPAC2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Sc2ccncn2)c1C
InChIInChI=1S/C13H17N5S/c1-4-6-15-12-9(2)13(18-10(3)17-12)19-11-5-7-14-8-16-11/h5,7-8H,4,6H2,1-3H3,(H,15,17,18)
InChIKeyAICBIFAFPHCSFD-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.86
Rot. Bonds5

About 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine

2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine (PubChem CID 80890051) has the molecular formula C13H17N5S and a molecular weight of 275.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
PubChem CID80890051
Molecular FormulaC13H17N5S
Molecular Weight275.38 g/mol
Exact Mass275.12
IUPAC Name2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(Sc2ccncn2)c1C
InChIInChI=1S/C13H17N5S/c1-4-6-15-12-9(2)13(18-10(3)17-12)19-11-5-7-14-8-16-11/h5,7-8H,4,6H2,1-3H3,(H,15,17,18)
InChIKeyAICBIFAFPHCSFD-UHFFFAOYSA-N
XLogP2.86
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-fluorophenyl)sulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80882760
5-bromo-N-propyl-4-pyrimidin-4-ylsulfanylpyrimidin-2-amine
CID 80889111
6-methyl-N-propyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334996
2-cyclopropyl-5-methyl-N-propyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80995160
3,5-dichloro-N-ethyl-6-pyrimidin-4-ylsulfanylpyridin-2-amine
CID 102761520
4-chloro-5-methyl-6-pyrimidin-4-ylsulfanylpyrimidine
CID 63732721
2-ethyl-5-methyl-6-(1,3-oxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
CID 106928299
6-cyclopentylsulfanyl-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 80889840
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
N-ethyl-2,5-dimethyl-6-(1,2,4-thiadiazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80895358
N-propyl-2-(pyrimidin-4-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63695901

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine (CID 80890051) is 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine is CCCNc1nc(C)nc(Sc2ccncn2)c1C.
What is the InChIKey of 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine?
The InChIKey is AICBIFAFPHCSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S/c1-4-6-15-12-9(2)13(18-10(3)17-12)19-11-5-7-14-8-16-11/h5,7-8H,4,6H2,1-3H3,(H,15,17,18).
What are the key properties of 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine?
2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine has a molecular weight of 275.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-propyl-6-pyrimidin-4-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80890051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).