N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine

C11H19N3OS — CID 80860112

IUPACN-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(OCC(C)C)nc(SC)n1
InChIInChI=1S/C11H19N3OS/c1-5-12-9-6-10(15-7-8(2)3)14-11(13-9)16-4/h6,8H,5,7H2,1-4H3,(H,12,13,14)
InChIKeyALQBUTCRPDMUKG-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.67
Rot. Bonds6

About N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine

N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 80860112) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
PubChem CID80860112
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1cc(OCC(C)C)nc(SC)n1
InChIInChI=1S/C11H19N3OS/c1-5-12-9-6-10(15-7-8(2)3)14-11(13-9)16-4/h6,8H,5,7H2,1-4H3,(H,12,13,14)
InChIKeyALQBUTCRPDMUKG-UHFFFAOYSA-N
XLogP2.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,2-difluoroethoxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 82010545
N-ethyl-2-methylsulfanyl-6-propoxypyrimidin-4-amine
CID 80865847
N-ethyl-6-(2-methylpropoxy)-2-propylpyrimidin-4-amine
CID 80949979
2-cyclohexyl-N-ethyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82458405
N-ethyl-6-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 80869840
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841763
6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80858375
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-N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80877951
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80851642
N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 102989125

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine (CID 80860112) is N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine is CCNc1cc(OCC(C)C)nc(SC)n1.
What is the InChIKey of N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is ALQBUTCRPDMUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-5-12-9-6-10(15-7-8(2)3)14-11(13-9)16-4/h6,8H,5,7H2,1-4H3,(H,12,13,14).
What are the key properties of N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine?
N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 241.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methylpropoxy)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80860112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).