4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol

C21H18F2N4O3 — CID 137047751

IUPAC4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCOc1ccc(Cn2cc3nc(-c4c(F)cccc4F)nc(N)c3c2O)c(OC)c1
InChIInChI=1S/C21H18F2N4O3/c1-29-12-7-6-11(16(8-12)30-2)9-27-10-15-18(21(27)28)19(24)26-20(25-15)17-13(22)4-3-5-14(17)23/h3-8,10,28H,9H2,1-2H3,(H2,24,25,26)
InChIKeyYNGQCXRDSFUSDY-UHFFFAOYSA-N
MW412.40 g/mol
LogP3.73
Rot. Bonds5

About 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol

4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 137047751) has the molecular formula C21H18F2N4O3 and a molecular weight of 412.40 g/mol. Its IUPAC name is 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID137047751
Molecular FormulaC21H18F2N4O3
Molecular Weight412.40 g/mol
Exact Mass412.13
IUPAC Name4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCOc1ccc(Cn2cc3nc(-c4c(F)cccc4F)nc(N)c3c2O)c(OC)c1
InChIInChI=1S/C21H18F2N4O3/c1-29-12-7-6-11(16(8-12)30-2)9-27-10-15-18(21(27)28)19(24)26-20(25-15)17-13(22)4-3-5-14(17)23/h3-8,10,28H,9H2,1-2H3,(H2,24,25,26)
InChIKeyYNGQCXRDSFUSDY-UHFFFAOYSA-N
XLogP3.73
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Disubstituted Pyrimidine 2h
CID 5329421
2-(2,4-Dimethoxyphenyl)-3H-imidazo(4,5-b)pyridine
CID 156890
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10m
CID 25138162
Imidazo[1,2-c]pyrimidine-8-carboxamide, 10n
CID 25138163
Antiproliferative agent-14
CID 86280647
103D5R
CID 11267663
5-Methoxy-2-[[(1-methyl-2-benzimidazolyl)amino]methyl]phenol
CID 787426
5-Methoxy-2-[[(1-propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 889581
2-{[(1-butyl-1H-benzimidazol-2-yl)amino]methyl}-5-methoxyphenol
CID 2902400
(5-(3-Fluorophenyl)-2-(2-methoxyphenyl)-7-methylimidazo[1,2-a]pyrimidin-6-yl)methanamine
CID 11639131
3-[8-Amino-1-(2,3-difluoro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44538587
3-[8-Amino-1-(2-methoxy-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44539192

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol (CID 137047751) is 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol is COc1ccc(Cn2cc3nc(-c4c(F)cccc4F)nc(N)c3c2O)c(OC)c1.
What is the InChIKey of 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is YNGQCXRDSFUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O3/c1-29-12-7-6-11(16(8-12)30-2)9-27-10-15-18(21(27)28)19(24)26-20(25-15)17-13(22)4-3-5-14(17)23/h3-8,10,28H,9H2,1-2H3,(H2,24,25,26).
What are the key properties of 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol?
4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 412.40 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 137047751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).