7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C24H24N8O3 — CID 11225226

IUPAC7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3ccn(-c4cccc(CCc5nn[nH]n5)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C24H24N8O3/c1-33-19-12-17(13-20(34-2)22(19)35-3)26-24-25-14-16-9-10-32(23(16)27-24)18-6-4-5-15(11-18)7-8-21-28-30-31-29-21/h4-6,9-14H,7-8H2,1-3H3,(H,25,26,27)(H,28,29,30,31)
InChIKeyZIAODHJYTZMILC-UHFFFAOYSA-N
MW472.51 g/mol
LogP3.49
Rot. Bonds9

About 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11225226) has the molecular formula C24H24N8O3 and a molecular weight of 472.51 g/mol. Its IUPAC name is 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11225226
Molecular FormulaC24H24N8O3
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3ccn(-c4cccc(CCc5nn[nH]n5)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C24H24N8O3/c1-33-19-12-17(13-20(34-2)22(19)35-3)26-24-25-14-16-9-10-32(23(16)27-24)18-6-4-5-15(11-18)7-8-21-28-30-31-29-21/h4-6,9-14H,7-8H2,1-3H3,(H,25,26,27)(H,28,29,30,31)
InChIKeyZIAODHJYTZMILC-UHFFFAOYSA-N
XLogP3.49
TPSA124.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 9822610
7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
Keratinocyte Differentiation Inducer
CID 11453158
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288
7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 56668417
2-(1-Methylindol-5-yl)-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 155804414
7-(1H-indol-2-yl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 135545443
N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661236
6-[(3,4,5-Trimethoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 456216
N4-(quinolin-6-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 10135786
N4-(isoquinolin-3-yl)-N2-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 10222816

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 11225226) is 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(Nc2ncc3ccn(-c4cccc(CCc5nn[nH]n5)c4)c3n2)cc(OC)c1OC.
What is the InChIKey of 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ZIAODHJYTZMILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3/c1-33-19-12-17(13-20(34-2)22(19)35-3)26-24-25-14-16-9-10-32(23(16)27-24)18-6-4-5-15(11-18)7-8-21-28-30-31-29-21/h4-6,9-14H,7-8H2,1-3H3,(H,25,26,27)(H,28,29,30,31).
What are the key properties of 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 472.51 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(2H-tetrazol-5-yl)ethyl]phenyl]-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11225226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).