4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine

C21H18N6 — CID 158935199

IUPAC4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
SMILESCc1ccc2[nH]c(-c3cc(Nc4ccnc(N)n4)cc4c3CN=C4)cc2c1
InChIInChI=1S/C21H18N6/c1-12-2-3-18-13(6-12)8-19(26-18)16-9-15(7-14-10-23-11-17(14)16)25-20-4-5-24-21(22)27-20/h2-10,26H,11H2,1H3,(H3,22,24,25,27)
InChIKeyJJOFWGMGUCVABO-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.19
Rot. Bonds3

About 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine

4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine (PubChem CID 158935199) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
PubChem CID158935199
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
SMILESCc1ccc2[nH]c(-c3cc(Nc4ccnc(N)n4)cc4c3CN=C4)cc2c1
InChIInChI=1S/C21H18N6/c1-12-2-3-18-13(6-12)8-19(26-18)16-9-15(7-14-10-23-11-17(14)16)25-20-4-5-24-21(22)27-20/h2-10,26H,11H2,1H3,(H3,22,24,25,27)
InChIKeyJJOFWGMGUCVABO-UHFFFAOYSA-N
XLogP4.19
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

acetic acid;4-N-[7-(4-methylphenyl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 157240750
4-N-[7-[3-(dimethylamino)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 158119091
4-N-[7-(5-amino-1H-indol-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 89329526
acetic acid;4-N-[7-[3-(methylsulfonylmethyl)phenyl]-1H-isoindol-5-yl]pyrimidine-2,4-diamine
CID 159948025
[2-amino-5-[(2-aminopyrimidin-4-yl)amino]-3-(5-methoxy-1H-indol-2-yl)phenyl]methylideneazanium
CID 143557604
4-N-(4-amino-3-methylphenyl)pyrimidine-2,4-diamine
CID 143557696
5-[(2-aminopyrimidin-4-yl)amino]isoindole-1,3-dione
CID 80760234
4-(5-methyl-1H-indol-2-yl)aniline
CID 15322512
2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25104267
4-N-[3-(4-aminophenyl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024291
4-N-[2-[4-[(2-methyl-4-pyridinyl)amino]phenyl]-3H-benzimidazol-5-yl]pyrimidine-2,4-diamine
CID 126676641
4-N-[7-(1H-indol-6-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 59024147

Frequently Asked Questions

What is the IUPAC name of 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine (CID 158935199) is 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine is Cc1ccc2[nH]c(-c3cc(Nc4ccnc(N)n4)cc4c3CN=C4)cc2c1.
What is the InChIKey of 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is JJOFWGMGUCVABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-12-2-3-18-13(6-12)8-19(26-18)16-9-15(7-14-10-23-11-17(14)16)25-20-4-5-24-21(22)27-20/h2-10,26H,11H2,1H3,(H3,22,24,25,27).
What are the key properties of 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine?
4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 354.42 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[7-(5-methyl-1H-indol-2-yl)-1H-isoindol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 158935199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).