2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine

C10H13N7S — CID 80885324

IUPAC2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Sc1nc(N)cc(N)n1
InChIInChI=1S/C10H13N7S/c1-2-5-8(13)14-4-15-9(5)18-10-16-6(11)3-7(12)17-10/h3-4H,2H2,1H3,(H2,13,14,15)(H4,11,12,16,17)
InChIKeyKSLBVMXOAVEMQA-UHFFFAOYSA-N
MW263.33 g/mol
LogP0.73
Rot. Bonds3

About 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine

2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (PubChem CID 80885324) has the molecular formula C10H13N7S and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
PubChem CID80885324
Molecular FormulaC10H13N7S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Sc1nc(N)cc(N)n1
InChIInChI=1S/C10H13N7S/c1-2-5-8(13)14-4-15-9(5)18-10-16-6(11)3-7(12)17-10/h3-4H,2H2,1H3,(H2,13,14,15)(H4,11,12,16,17)
InChIKeyKSLBVMXOAVEMQA-UHFFFAOYSA-N
XLogP0.73
TPSA129.62 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-ethyl-6-ethylsulfanylpyrimidin-4-amine
CID 80887544
2-[6-(methylamino)-5-propylpyrimidin-4-yl]sulfanylpyrimidine-4,6-diamine
CID 80885968
2-(6-hydrazinyl-5-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80923227
5-ethyl-6-(4-fluorophenyl)sulfanylpyrimidin-4-amine
CID 80883053
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine
CID 80889243
6-(2,5-difluorophenyl)sulfanyl-5-ethylpyrimidin-4-amine
CID 80884884
5-ethyl-6-(2-methylphenyl)sulfanylpyrimidin-4-amine
CID 80886646
5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine
CID 80892560
6-benzylsulfanyl-5-ethylpyrimidin-4-amine
CID 80884151
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 114236389
2-(6-fluoropyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 115417341
6-(3,4-dichlorophenyl)sulfanyl-5-propylpyrimidin-4-amine
CID 80891496

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The IUPAC name of 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine (CID 80885324) is 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Sc1nc(N)cc(N)n1.
What is the InChIKey of 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
The InChIKey is KSLBVMXOAVEMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S/c1-2-5-8(13)14-4-15-9(5)18-10-16-6(11)3-7(12)17-10/h3-4H,2H2,1H3,(H2,13,14,15)(H4,11,12,16,17).
What are the key properties of 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine?
2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine has a molecular weight of 263.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 80885324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).