6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine

C12H13N7S — CID 114788402

IUPAC6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine
SMILESCc1nc(Sc2nc(N)nc3nc[nH]c23)nc(C)c1C
InChIInChI=1S/C12H13N7S/c1-5-6(2)16-12(17-7(5)3)20-10-8-9(15-4-14-8)18-11(13)19-10/h4H,1-3H3,(H3,13,14,15,18,19)
InChIKeyVISGQZVCDZTGCL-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.80
Rot. Bonds2

About 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine

6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine (PubChem CID 114788402) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine
PubChem CID114788402
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC Name6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine
SMILESCc1nc(Sc2nc(N)nc3nc[nH]c23)nc(C)c1C
InChIInChI=1S/C12H13N7S/c1-5-6(2)16-12(17-7(5)3)20-10-8-9(15-4-14-8)18-11(13)19-10/h4H,1-3H3,(H3,13,14,15,18,19)
InChIKeyVISGQZVCDZTGCL-UHFFFAOYSA-N
XLogP1.80
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-7H-purin-2-amine
CID 102927037
4-amino-2-[(2-amino-7H-purin-6-yl)sulfanyl]-1H-pyrimidin-6-one
CID 136981709
6-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-7H-purin-2-amine
CID 4040642
1-[(2-amino-7H-purin-6-yl)sulfanyl]propan-2-one
CID 3336308
6-(1,3-benzothiazol-2-ylsulfanyl)-7H-purin-2-amine
CID 114788221
5-bromo-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-1H-pyrimidin-6-one
CID 114791285
6-[(5-nitro-2-pyridinyl)sulfanyl]-7H-purin-2-amine
CID 3977545
3-[(2-amino-7H-purin-6-yl)sulfanyl]propane-1,2-diol
CID 114788446
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
6-(4-bromo-3,5-dimethylpyrazol-1-yl)-7H-purin-2-amine
CID 114786682
5-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 65039069
6-(1-amino-2-methylpropyl)-7H-purin-2-amine
CID 174749198

Frequently Asked Questions

What is the IUPAC name of 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine?
The IUPAC name of 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine (CID 114788402) is 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine.
What is the SMILES notation for 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine?
The canonical SMILES for 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine is Cc1nc(Sc2nc(N)nc3nc[nH]c23)nc(C)c1C.
What is the InChIKey of 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine?
The InChIKey is VISGQZVCDZTGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-5-6(2)16-12(17-7(5)3)20-10-8-9(15-4-14-8)18-11(13)19-10/h4H,1-3H3,(H3,13,14,15,18,19).
What are the key properties of 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine?
6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine has a molecular weight of 287.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-7H-purin-2-amine is sourced from PubChem (CID 114788402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).