N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine

C12H13N7S — CID 80892125

IUPACN-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
SMILESCCNc1nc(C)cc(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C12H13N7S/c1-3-13-12-18-7(2)4-8(19-12)20-11-9-10(15-5-14-9)16-6-17-11/h4-6H,3H2,1-2H3,(H,13,18,19)(H,14,15,16,17)
InChIKeyODFIMQWFGDORHB-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.03
Rot. Bonds4

About N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine

N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine (PubChem CID 80892125) has the molecular formula C12H13N7S and a molecular weight of 287.35 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
PubChem CID80892125
Molecular FormulaC12H13N7S
Molecular Weight287.35 g/mol
Exact Mass287.10
IUPAC NameN-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
SMILESCCNc1nc(C)cc(Sc2ncnc3nc[nH]c23)n1
InChIInChI=1S/C12H13N7S/c1-3-13-12-18-7(2)4-8(19-12)20-11-9-10(15-5-14-9)16-6-17-11/h4-6H,3H2,1-2H3,(H,13,18,19)(H,14,15,16,17)
InChIKeyODFIMQWFGDORHB-UHFFFAOYSA-N
XLogP2.03
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-5-methyl-4-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892340
[2-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-yl]hydrazine
CID 80922991
N-ethyl-4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80891327
N-ethyl-5-(7H-purin-6-ylsulfanylmethyl)-1,3-thiazol-2-amine
CID 79774146
N-methyl-5-propyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-4-amine
CID 80883518
N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine
CID 114788267
6-(2-methylbutan-2-ylsulfanyl)-7H-purine
CID 3457706
6-[4-(7H-purin-6-ylsulfanyl)butylsulfanyl]-7H-purine
CID 3844803
6-[(3,5,6-trifluoro-2-pyridinyl)sulfanyl]-7H-purine
CID 114072791
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
6-dodecylsulfanyl-7H-purine
CID 3778984
2-N-ethyl-6-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-7H-purine-2,6-diamine
CID 114785145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine (CID 80892125) is N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine is CCNc1nc(C)cc(Sc2ncnc3nc[nH]c23)n1.
What is the InChIKey of N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is ODFIMQWFGDORHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7S/c1-3-13-12-18-7(2)4-8(19-12)20-11-9-10(15-5-14-9)16-6-17-11/h4-6H,3H2,1-2H3,(H,13,18,19)(H,14,15,16,17).
What are the key properties of N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine?
N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 287.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80892125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).