N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine

C21H29N5OS — CID 20806173

IUPACN-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine
SMILESCCSc1nc(-c2ccc(OC)c(NCCCCN(C)C)c2)cc2nccn12
InChIInChI=1S/C21H29N5OS/c1-5-28-21-24-17(15-20-23-11-13-26(20)21)16-8-9-19(27-4)18(14-16)22-10-6-7-12-25(2)3/h8-9,11,13-15,22H,5-7,10,12H2,1-4H3
InChIKeyZNMZBIDCYVWYEW-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.27
Rot. Bonds10

About N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine

N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine (PubChem CID 20806173) has the molecular formula C21H29N5OS and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine
PubChem CID20806173
Molecular FormulaC21H29N5OS
Molecular Weight399.56 g/mol
Exact Mass399.21
IUPAC NameN-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine
SMILESCCSc1nc(-c2ccc(OC)c(NCCCCN(C)C)c2)cc2nccn12
InChIInChI=1S/C21H29N5OS/c1-5-28-21-24-17(15-20-23-11-13-26(20)21)16-8-9-19(27-4)18(14-16)22-10-6-7-12-25(2)3/h8-9,11,13-15,22H,5-7,10,12H2,1-4H3
InChIKeyZNMZBIDCYVWYEW-UHFFFAOYSA-N
XLogP4.27
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.27
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'-dimethylpropane-1,3-diamine
CID 20806175
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-methoxy-N,N-dimethylaniline
CID 20805883
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine?
The IUPAC name of N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine (CID 20806173) is N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine is CCSc1nc(-c2ccc(OC)c(NCCCCN(C)C)c2)cc2nccn12.
What is the InChIKey of N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine?
The InChIKey is ZNMZBIDCYVWYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5OS/c1-5-28-21-24-17(15-20-23-11-13-26(20)21)16-8-9-19(27-4)18(14-16)22-10-6-7-12-25(2)3/h8-9,11,13-15,22H,5-7,10,12H2,1-4H3.
What are the key properties of N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine?
N-[5-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl]-N',N'-dimethylbutane-1,4-diamine has a molecular weight of 399.56 g/mol, XLogP of 4.27, 10 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'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 20806173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).