N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine

C20H27N5OS — CID 20806175

IUPACN-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCSc1nc(-c2ccc(OC)c(NCCCN(C)C)c2)cc2nccn12
InChIInChI=1S/C20H27N5OS/c1-5-27-20-23-16(14-19-22-10-12-25(19)20)15-7-8-18(26-4)17(13-15)21-9-6-11-24(2)3/h7-8,10,12-14,21H,5-6,9,11H2,1-4H3
InChIKeyLOEDDZGHLLPZFP-UHFFFAOYSA-N
MW385.54 g/mol
LogP3.88
Rot. Bonds9

About N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine

N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine (PubChem CID 20806175) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine
PubChem CID20806175
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC NameN-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine
SMILESCCSc1nc(-c2ccc(OC)c(NCCCN(C)C)c2)cc2nccn12
InChIInChI=1S/C20H27N5OS/c1-5-27-20-23-16(14-19-22-10-12-25(19)20)15-7-8-18(26-4)17(13-15)21-9-6-11-24(2)3/h7-8,10,12-14,21H,5-6,9,11H2,1-4H3
InChIKeyLOEDDZGHLLPZFP-UHFFFAOYSA-N
XLogP3.88
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine
CID 20806173
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
7-(3,4-diethoxyphenyl)-5-ethylsulfanylimidazo[1,2-c]pyrimidine
CID 22386542
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxybenzenesulfonyl chloride
CID 22386549
[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate
CID 20805884
7-[3,4-bis(2-ethoxyethoxy)phenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine
CID 20805892
4-[3-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]propyl]morpholine
CID 20805814
4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxy-N-methylaniline;[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] trifluoromethanesulfonate;methanamine
CID 159682710
7-[4-(2-chloroethoxy)-3-methoxyphenyl]-5-ethylsulfanylimidazo[1,2-c]pyrimidine;4-[2-[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenoxy]ethyl]morpholine
CID 158602757
4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
CID 20806044
2-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]sulfanylacetic acid
CID 20805767

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine (CID 20806175) is N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine is CCSc1nc(-c2ccc(OC)c(NCCCN(C)C)c2)cc2nccn12.
What is the InChIKey of N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is LOEDDZGHLLPZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-5-27-20-23-16(14-19-22-10-12-25(19)20)15-7-8-18(26-4)17(13-15)21-9-6-11-24(2)3/h7-8,10,12-14,21H,5-6,9,11H2,1-4H3.
What are the key properties of N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine?
N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 385.54 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 20806175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).