4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine

C11H17N3O2S — CID 106430202

IUPAC4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
SMILESC=CCSCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H17N3O2S/c1-4-6-17-7-5-12-11-13-9(15-2)8-10(14-11)16-3/h4,8H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeyLFENNHPJVLZRFZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.82
Rot. Bonds8

About 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine

4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine (PubChem CID 106430202) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
PubChem CID106430202
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
SMILESC=CCSCCNc1nc(OC)cc(OC)n1
InChIInChI=1S/C11H17N3O2S/c1-4-6-17-7-5-12-11-13-9(15-2)8-10(14-11)16-3/h4,8H,1,5-7H2,2-3H3,(H,12,13,14)
InChIKeyLFENNHPJVLZRFZ-UHFFFAOYSA-N
XLogP1.82
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-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

3-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 103824456
4-chloro-6-methoxy-N-(2-prop-2-enylsulfanylethyl)-1,3,5-triazin-2-amine
CID 106430118
4-ethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine
CID 106430295
4,6-dimethoxy-N-(2-phenylsulfanylethyl)pyrimidin-2-amine
CID 115354984
5,6-dimethyl-N-(2-prop-2-enylsulfanylethyl)-1,2,4-triazin-3-amine
CID 104924082
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
6-ethoxy-2-methyl-N-(2-prop-2-enylsulfanylethyl)pyrimidin-4-amine
CID 114187837
6-chloro-2-N-(2-prop-2-enylsulfanylethyl)pyridine-2,4-diamine
CID 104924087
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
3-methoxy-N-(2-prop-2-enylsulfanylethyl)pyridin-2-amine
CID 106430241
N'-(4,6-dimethoxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323661
N-(4,6-dimethoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 113292899

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine (CID 106430202) is 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine is C=CCSCCNc1nc(OC)cc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine?
The InChIKey is LFENNHPJVLZRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-4-6-17-7-5-12-11-13-9(15-2)8-10(14-11)16-3/h4,8H,1,5-7H2,2-3H3,(H,12,13,14).
What are the key properties of 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine?
4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine has a molecular weight of 255.34 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(2-prop-2-enylsulfanylethyl)pyrimidin-2-amine is sourced from PubChem (CID 106430202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).