2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

C11H13N5S — CID 80892419

IUPAC2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCc1ccnc(Sc2nc(C)nc(N)c2C)n1
InChIInChI=1S/C11H13N5S/c1-6-4-5-13-11(14-6)17-10-7(2)9(12)15-8(3)16-10/h4-5H,1-3H3,(H2,12,15,16)
InChIKeyIMHSOFMXGFMBRR-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.93
Rot. Bonds2

About 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine

2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (PubChem CID 80892419) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
PubChem CID80892419
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
SMILESCc1ccnc(Sc2nc(C)nc(N)c2C)n1
InChIInChI=1S/C11H13N5S/c1-6-4-5-13-11(14-6)17-10-7(2)9(12)15-8(3)16-10/h4-5H,1-3H3,(H2,12,15,16)
InChIKeyIMHSOFMXGFMBRR-UHFFFAOYSA-N
XLogP1.93
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-methylpyrimidin-2-yl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80891671
2-(6-amino-2,5-dimethylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80893548
2-methyl-3-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 63061556
2-tert-butyl-4-chloro-5-methyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine
CID 80978353
2,5-dimethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 106928551
6-(4-methylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 62267843
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 91252009
2-tert-butyl-N,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80990005
5-amino-2-(4-methylpyrimidin-2-yl)sulfanylpyridine-3-carbonitrile
CID 55053717
2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885765
[5-methyl-6-(4-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methanamine
CID 80650640
4,5-bis[(4-methylpyrimidin-2-yl)sulfanyl]benzene-1,2-diol
CID 102477805

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine (CID 80892419) is 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is Cc1ccnc(Sc2nc(C)nc(N)c2C)n1.
What is the InChIKey of 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
The InChIKey is IMHSOFMXGFMBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-6-4-5-13-11(14-6)17-10-7(2)9(12)15-8(3)16-10/h4-5H,1-3H3,(H2,12,15,16).
What are the key properties of 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine?
2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine has a molecular weight of 247.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80892419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).