6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine

C20H21N5O2 — CID 22543205

IUPAC6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)c(OC)c1
InChIInChI=1S/C20H21N5O2/c1-26-14-7-8-15(17(11-14)27-2)24-19-18(21)20(23-12-22-19)25-10-9-13-5-3-4-6-16(13)25/h3-8,11-12H,9-10,21H2,1-2H3,(H,22,23,24)
InChIKeyINASJMQARBBQLY-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.51
Rot. Bonds5

About 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine

6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine (PubChem CID 22543205) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
PubChem CID22543205
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)c(OC)c1
InChIInChI=1S/C20H21N5O2/c1-26-14-7-8-15(17(11-14)27-2)24-19-18(21)20(23-12-22-19)25-10-9-13-5-3-4-6-16(13)25/h3-8,11-12H,9-10,21H2,1-2H3,(H,22,23,24)
InChIKeyINASJMQARBBQLY-UHFFFAOYSA-N
XLogP3.51
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
6-(2,3-dihydroindol-1-yl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 22543272
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
4-N-(4-bromo-2-fluorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543302
4-N-(2,5-dimethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19142781
6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109356552
4-N-(3,4-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543153
6-N-(2,3-dichlorophenyl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142849
6-N-(2,4-dimethoxyphenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19142831
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 22543232
6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19142840

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine (CID 22543205) is 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine is COc1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)c(OC)c1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine?
The InChIKey is INASJMQARBBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-26-14-7-8-15(17(11-14)27-2)24-19-18(21)20(23-12-22-19)25-10-9-13-5-3-4-6-16(13)25/h3-8,11-12H,9-10,21H2,1-2H3,(H,22,23,24).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine?
6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine has a molecular weight of 363.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 22543205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).