7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C22H20F2N4O2 — CID 46290375

IUPAC7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C22H20F2N4O2/c1-12-13(2)28(15-6-7-16(23)17(24)10-15)22-20(12)21(25-11-26-22)27-14-5-8-18(29-3)19(9-14)30-4/h5-11H,1-4H3,(H,25,26,27)
InChIKeyBWUGBZPXZNIPHY-UHFFFAOYSA-N
MW410.42 g/mol
LogP5.08
Rot. Bonds5

About 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 46290375) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID46290375
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1OC
InChIInChI=1S/C22H20F2N4O2/c1-12-13(2)28(15-6-7-16(23)17(24)10-15)22-20(12)21(25-11-26-22)27-14-5-8-18(29-3)19(9-14)30-4/h5-11H,1-4H3,(H,25,26,27)
InChIKeyBWUGBZPXZNIPHY-UHFFFAOYSA-N
XLogP5.08
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.42
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(4-chlorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 50765490
7-(4-fluoro-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 114840511
7-(3,5-difluorophenyl)-N-(3,5-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 46290416
N-(2,5-difluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 46290442
7-(3,4-difluorophenyl)-5,6-dimethyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 46290389
4-N-(3,4-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866560
7-(4-fluorophenyl)-5,6-dimethyl-N-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 46290431
7-(3-chlorophenyl)-N-(3,5-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 46290460
N-(2-chloro-4-fluorophenyl)-7-(4-fluorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 50765472
1-[4-[[7-(3-chlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]ethanone
CID 46290443
N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434946
N-(3-methoxyphenyl)-5,6-dimethyl-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4971439

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 46290375) is 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3c2c(C)c(C)n3-c2ccc(F)c(F)c2)cc1OC.
What is the InChIKey of 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BWUGBZPXZNIPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-12-13(2)28(15-6-7-16(23)17(24)10-15)22-20(12)21(25-11-26-22)27-14-5-8-18(29-3)19(9-14)30-4/h5-11H,1-4H3,(H,25,26,27).
What are the key properties of 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 410.42 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-N-(3,4-dimethoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 46290375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).