4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine

C11H17N3OS — CID 106430295

IUPAC4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
SMILESC=CCSCCNc1nccc(OCC)n1
InChIInChI=1S/C11H17N3OS/c1-3-8-16-9-7-13-11-12-6-5-10(14-11)15-4-2/h3,5-6H,1,4,7-9H2,2H3,(H,12,13,14)
InChIKeyWMRMTLSFAQBWSX-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.21
Rot. Bonds8

About 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine

4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine (PubChem CID 106430295) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
PubChem CID106430295
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
SMILESC=CCSCCNc1nccc(OCC)n1
InChIInChI=1S/C11H17N3OS/c1-3-8-16-9-7-13-11-12-6-5-10(14-11)15-4-2/h3,5-6H,1,4,7-9H2,2H3,(H,12,13,14)
InChIKeyWMRMTLSFAQBWSX-UHFFFAOYSA-N
XLogP2.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrimidin-4-amine
CID 114187837
4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
CID 106430202
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N'-butan-2-yl-N-(4-ethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 114134754
N-[2-(azepan-1-yl)ethyl]-4-ethoxypyrimidin-2-amine
CID 112637065
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine (CID 106430295) is 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine is C=CCSCCNc1nccc(OCC)n1.
What is the InChIKey of 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine?
The InChIKey is WMRMTLSFAQBWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-3-8-16-9-7-13-11-12-6-5-10(14-11)15-4-2/h3,5-6H,1,4,7-9H2,2H3,(H,12,13,14).
What are the key properties of 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine?
4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine has a molecular weight of 239.34 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine is sourced from PubChem (CID 106430295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).