4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine

C20H20N6 — CID 158119091

IUPAC4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1cccc(-c2cc(Nc3ccnc(N)n3)cc3c2CN=C3)c1
InChIInChI=1S/C20H20N6/c1-26(2)16-5-3-4-13(9-16)17-10-15(8-14-11-22-12-18(14)17)24-19-6-7-23-20(21)25-19/h3-11H,12H2,1-2H3,(H3,21,23,24,25)
InChIKeyFRJPRSPXGPBZLP-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.47
Rot. Bonds4

About 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine

4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine (PubChem CID 158119091) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
PubChem CID158119091
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
SMILESCN(C)c1cccc(-c2cc(Nc3ccnc(N)n3)cc3c2CN=C3)c1
InChIInChI=1S/C20H20N6/c1-26(2)16-5-3-4-13(9-16)17-10-15(8-14-11-22-12-18(14)17)24-19-6-7-23-20(21)25-19/h3-11H,12H2,1-2H3,(H3,21,23,24,25)
InChIKeyFRJPRSPXGPBZLP-UHFFFAOYSA-N
XLogP3.47
TPSA79.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine 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

acetic acid;4-N-[7-[3-(methylsulfonylmethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 159948025
acetic acid;4-N-[7-(4-methylphenyl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 157240750
4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 158935199
4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 159350665
4-N-[3-[3-(aminomethyl)phenyl]-5-methanimidoyl-4-(methylamino)phenyl]pyrimidine-2,4-diamine
CID 89329417
4-N-(1H-isoindol-4-yl)pyrimidine-2,4-diamine
CID 158484232
4-[3-(dimethylamino)phenyl]pyridin-2-amine
CID 82556008
acetic acid;4-N-[3-[3-(trifluoromethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 159350664
4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024147
2-[3-(dimethylamino)phenyl]pyridin-4-amine
CID 130234930
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
4-N-[3-(2-phenylethynyl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 153246984

Frequently Asked Questions

What is the IUPAC name of 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine (CID 158119091) is 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine is CN(C)c1cccc(-c2cc(Nc3ccnc(N)n3)cc3c2CN=C3)c1.
What is the InChIKey of 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is FRJPRSPXGPBZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-26(2)16-5-3-4-13(9-16)17-10-15(8-14-11-22-12-18(14)17)24-19-6-7-23-20(21)25-19/h3-11H,12H2,1-2H3,(H3,21,23,24,25).
What are the key properties of 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 344.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158119091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).