7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C22H22N4O3 — CID 11257798

IUPAC7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C22H22N4O3/c1-14-6-5-7-17(10-14)26-9-8-15-13-23-22(25-21(15)26)24-16-11-18(27-2)20(29-4)19(12-16)28-3/h5-13H,1-4H3,(H,23,24,25)
InChIKeyPXJNNKBMWDAPCW-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.50
Rot. Bonds6

About 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11257798) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11257798
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C22H22N4O3/c1-14-6-5-7-17(10-14)26-9-8-15-13-23-22(25-21(15)26)24-16-11-18(27-2)20(29-4)19(12-16)28-3/h5-13H,1-4H3,(H,23,24,25)
InChIKeyPXJNNKBMWDAPCW-UHFFFAOYSA-N
XLogP4.50
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine
CID 447815
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
7-[(3,4,5-Trimethoxyphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 456183
5-Methyl-6-[(3,4,5-trimethoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 456204
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2h
CID 5329421
6,7-dimethoxy-N-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 5330462
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10j
CID 10253089
5-methyl-7-[3-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11328632
Keratinocyte Differentiation Inducer
CID 11453158

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 11257798) is 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is COc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC.
What is the InChIKey of 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is PXJNNKBMWDAPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-6-5-7-17(10-14)26-9-8-15-13-23-22(25-21(15)26)24-16-11-18(27-2)20(29-4)19(12-16)28-3/h5-13H,1-4H3,(H,23,24,25).
What are the key properties of 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 390.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11257798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).