4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline

C20H18N4O2S — CID 20806044

IUPAC4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
SMILESCOc1ccc(-c2cc3nccn3c(Sc3ccc(N)cc3)n2)cc1OC
InChIInChI=1S/C20H18N4O2S/c1-25-17-8-3-13(11-18(17)26-2)16-12-19-22-9-10-24(19)20(23-16)27-15-6-4-14(21)5-7-15/h3-12H,21H2,1-2H3
InChIKeyDSACWDYHJDABFZ-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.15
Rot. Bonds5

About 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline

4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline (PubChem CID 20806044) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline.

Molecular Properties

Compound Name4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
PubChem CID20806044
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
SMILESCOc1ccc(-c2cc3nccn3c(Sc3ccc(N)cc3)n2)cc1OC
InChIInChI=1S/C20H18N4O2S/c1-25-17-8-3-13(11-18(17)26-2)16-12-19-22-9-10-24(19)20(23-16)27-15-6-4-14(21)5-7-15/h3-12H,21H2,1-2H3
InChIKeyDSACWDYHJDABFZ-UHFFFAOYSA-N
XLogP4.15
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]sulfanylacetic acid
CID 20805767
3-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]-N,N-dimethylpropanamide
CID 20805860
[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate
CID 20805884
7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine
CID 22386542
7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine
CID 20805928
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N,N-dimethylaniline
CID 20805883
5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline
CID 20806074
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonamide
CID 20805877
N-(3,5-difluorophenyl)-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20806138
5-[4-(4-chlorophenyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidine
CID 20805768
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride
CID 22386549
5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol
CID 20806083

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline?
The IUPAC name of 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline (CID 20806044) is 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline.
What is the SMILES notation for 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline?
The canonical SMILES for 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline is COc1ccc(-c2cc3nccn3c(Sc3ccc(N)cc3)n2)cc1OC.
What is the InChIKey of 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline?
The InChIKey is DSACWDYHJDABFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-25-17-8-3-13(11-18(17)26-2)16-12-19-22-9-10-24(19)20(23-16)27-15-6-4-14(21)5-7-15/h3-12H,21H2,1-2H3.
What are the key properties of 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline?
4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline has a molecular weight of 378.46 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline is sourced from PubChem (CID 20806044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).