5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine

C12H16N6S — CID 121015810

IUPAC5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(CSCc2cnc(C)nc2N)c(N)n1
InChIInChI=1S/C12H16N6S/c1-7-15-3-9(11(13)17-7)5-19-6-10-4-16-8(2)18-12(10)14/h3-4H,5-6H2,1-2H3,(H2,13,15,17)(H2,14,16,18)
InChIKeyXXVPEGFJDLIOSW-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.48
Rot. Bonds4

About 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine

5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine (PubChem CID 121015810) has the molecular formula C12H16N6S and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine
PubChem CID121015810
Molecular FormulaC12H16N6S
Molecular Weight276.37 g/mol
Exact Mass276.12
IUPAC Name5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine
SMILESCc1ncc(CSCc2cnc(C)nc2N)c(N)n1
InChIInChI=1S/C12H16N6S/c1-7-15-3-9(11(13)17-7)5-19-6-10-4-16-8(2)18-12(10)14/h3-4H,5-6H2,1-2H3,(H2,13,15,17)(H2,14,16,18)
InChIKeyXXVPEGFJDLIOSW-UHFFFAOYSA-N
XLogP1.48
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-2-methylpyrimidin-4-amine
CID 22978191
(2R)-2-amino-3-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanyl]propanoic acid
CID 151757918
2-(4-amino-2-methylpyrimidin-5-yl)ethanol
CID 129317411
trisodium;(4-amino-2-methylpyrimidin-5-yl)methanol;hydride
CID 173304149
CID 66817606
CID 66817606
2-methyl-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-amine;chloride;hydrochloride
CID 44890109
5-(ethoxymethyl)-2-methylpyrimidin-4-amine;hydrochloride
CID 159577118
2-methyl-5-[(2-methylpropan-2-yl)oxymethyl]pyrimidin-4-amine
CID 14404472
(2S)-2-amino-3-(4-amino-2-methylpyrimidin-5-yl)propanoic acid
CID 26792673
(4-amino-2-methylpyrimidin-5-yl)methyl phosphate
CID 25244846
5-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpyrimidin-4-amine
CID 154404014
2-methyl-5-(1,3,4-thiadiazol-3-ium-3-ylmethyl)pyrimidin-4-amine;bromide;hydrobromide
CID 163921839

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine (CID 121015810) is 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine is Cc1ncc(CSCc2cnc(C)nc2N)c(N)n1.
What is the InChIKey of 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine?
The InChIKey is XXVPEGFJDLIOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6S/c1-7-15-3-9(11(13)17-7)5-19-6-10-4-16-8(2)18-12(10)14/h3-4H,5-6H2,1-2H3,(H2,13,15,17)(H2,14,16,18).
What are the key properties of 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine?
5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine has a molecular weight of 276.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-2-methylpyrimidin-5-yl)methylsulfanylmethyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 121015810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).