5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine

C14H17N3O2S — CID 1479127

IUPAC5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc(Sc2nc(N(C)C)ncc2OC)cc1
InChIInChI=1S/C14H17N3O2S/c1-17(2)14-15-9-12(19-4)13(16-14)20-11-7-5-10(18-3)6-8-11/h5-9H,1-4H3
InChIKeyKFOUZJPPDMDIQJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.71
Rot. Bonds5

About 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine

5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine (PubChem CID 1479127) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine
PubChem CID1479127
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine
SMILESCOc1ccc(Sc2nc(N(C)C)ncc2OC)cc1
InChIInChI=1S/C14H17N3O2S/c1-17(2)14-15-9-12(19-4)13(16-14)20-11-7-5-10(18-3)6-8-11/h5-9H,1-4H3
InChIKeyKFOUZJPPDMDIQJ-UHFFFAOYSA-N
XLogP2.71
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine (CID 1479127) is 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine is COc1ccc(Sc2nc(N(C)C)ncc2OC)cc1.
What is the InChIKey of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine?
The InChIKey is KFOUZJPPDMDIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17(2)14-15-9-12(19-4)13(16-14)20-11-7-5-10(18-3)6-8-11/h5-9H,1-4H3.
What are the key properties of 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine?
5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine has a molecular weight of 291.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-methoxyphenyl)sulfanyl-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 1479127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).