4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

C48H52N14O3S3 — CID 87963933

IUPAC4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)S(=O)(=O)NCCn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1.COc1ccccc1N1CCN(CCCn2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)CC1
InChIInChI=1S/C29H31N7OS.C19H21N7O2S2/c1-37-24-11-6-5-10-23(24)35-16-14-34(15-17-35)12-7-13-36-20-33-26(21-8-3-2-4-9-21)27(36)25-18-22-28(30)31-19-32-29(22)38-25;1-25(2)30(27,28)24-8-9-26-12-23-16(13-6-4-3-5-7-13)17(26)15-10-14-18(20)21-11-22-19(14)29-15/h2-6,8-11,18-20H,7,12-17H2,1H3,(H2,30,31,32);3-7,10-12,24H,8-9H2,1-2H3,(H2,20,21,22)
InChIKeyNZPSINTXWHOGNC-UHFFFAOYSA-N
MW969.24 g/mol
LogP7.22
Rot. Bonds15

About 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine

4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 87963933) has the molecular formula C48H52N14O3S3 and a molecular weight of 969.24 g/mol. Its IUPAC name is 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID87963933
Molecular FormulaC48H52N14O3S3
Molecular Weight969.24 g/mol
Exact Mass968.35
IUPAC Name4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)S(=O)(=O)NCCn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1.COc1ccccc1N1CCN(CCCn2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)CC1
InChIInChI=1S/C29H31N7OS.C19H21N7O2S2/c1-37-24-11-6-5-10-23(24)35-16-14-34(15-17-35)12-7-13-36-20-33-26(21-8-3-2-4-9-21)27(36)25-18-22-28(30)31-19-32-29(22)38-25;1-25(2)30(27,28)24-8-9-26-12-23-16(13-6-4-3-5-7-13)17(26)15-10-14-18(20)21-11-22-19(14)29-15/h2-6,8-11,18-20H,7,12-17H2,1H3,(H2,30,31,32);3-7,10-12,24H,8-9H2,1-2H3,(H2,20,21,22)
InChIKeyNZPSINTXWHOGNC-UHFFFAOYSA-N
XLogP7.22
TPSA204.36 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.24
LogP ≤ 57.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine (CID 87963933) is 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is CN(C)S(=O)(=O)NCCn1cnc(-c2ccccc2)c1-c1cc2c(N)ncnc2s1.COc1ccccc1N1CCN(CCCn2cnc(-c3ccccc3)c2-c2cc3c(N)ncnc3s2)CC1.
What is the InChIKey of 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NZPSINTXWHOGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7OS.C19H21N7O2S2/c1-37-24-11-6-5-10-23(24)35-16-14-34(15-17-35)12-7-13-36-20-33-26(21-8-3-2-4-9-21)27(36)25-18-22-28(30)31-19-32-29(22)38-25;1-25(2)30(27,28)24-8-9-26-12-23-16(13-6-4-3-5-7-13)17(26)15-10-14-18(20)21-11-22-19(14)29-15/h2-6,8-11,18-20H,7,12-17H2,1H3,(H2,30,31,32);3-7,10-12,24H,8-9H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine?
4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 969.24 g/mol, XLogP of 7.22, 15 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[3-[2-(dimethylsulfamoylamino)ethyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidine;6-[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-phenylimidazol-4-yl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 87963933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).