N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine

C10H17N3OS — CID 80865847

IUPACN-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC)nc(SC)n1
InChIInChI=1S/C10H17N3OS/c1-4-6-14-9-7-8(11-5-2)12-10(13-9)15-3/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyWPEWLLNNFDTJSP-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.42
Rot. Bonds6

About N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine

N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine (PubChem CID 80865847) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
PubChem CID80865847
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NCC)nc(SC)n1
InChIInChI=1S/C10H17N3OS/c1-4-6-14-9-7-8(11-5-2)12-10(13-9)15-3/h7H,4-6H2,1-3H3,(H,11,12,13)
InChIKeyWPEWLLNNFDTJSP-UHFFFAOYSA-N
XLogP2.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylsulfanyl-6-propoxypyrimidin-4-yl)acetamide
CID 24768437
6-(2,2-difluoroethoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 82010545
N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80860112
N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80869840
6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80858375
2-methylsulfanyl-N-propyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80846370
N-ethyl-6-[(2-methyl-3-pyridinyl)oxy]-2-methylsulfanylpyrimidin-4-amine
CID 80882701
N-ethyl-6-[(5-methyl-1H-pyrazol-3-yl)oxy]-2-methylsulfanylpyrimidin-4-amine
CID 81341322
2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80858727
6-(2,5-dichlorophenoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80862821
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 102989125
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine (CID 80865847) is N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine is CCCOc1cc(NCC)nc(SC)n1.
What is the InChIKey of N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine?
The InChIKey is WPEWLLNNFDTJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-6-14-9-7-8(11-5-2)12-10(13-9)15-3/h7H,4-6H2,1-3H3,(H,11,12,13).
What are the key properties of N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine?
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine has a molecular weight of 227.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 80865847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).