4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine

C22H21N7 — CID 123314753

IUPAC4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine
SMILESCNc1cc(Nc2nccc(NCc3ccc4[nH]ccc4c3)n2)c2cc[nH]c2c1
InChIInChI=1S/C22H21N7/c1-23-16-11-19-17(5-8-25-19)20(12-16)28-22-26-9-6-21(29-22)27-13-14-2-3-18-15(10-14)4-7-24-18/h2-12,23-25H,13H2,1H3,(H2,26,27,28,29)
InChIKeyFMRKBCTVVXTKQW-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.84
Rot. Bonds6

About 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine

4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine (PubChem CID 123314753) has the molecular formula C22H21N7 and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine.

Molecular Properties

Compound Name4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine
PubChem CID123314753
Molecular FormulaC22H21N7
Molecular Weight383.46 g/mol
Exact Mass383.19
IUPAC Name4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine
SMILESCNc1cc(Nc2nccc(NCc3ccc4[nH]ccc4c3)n2)c2cc[nH]c2c1
InChIInChI=1S/C22H21N7/c1-23-16-11-19-17(5-8-25-19)20(12-16)28-22-26-9-6-21(29-22)27-13-14-2-3-18-15(10-14)4-7-24-18/h2-12,23-25H,13H2,1H3,(H2,26,27,28,29)
InChIKeyFMRKBCTVVXTKQW-UHFFFAOYSA-N
XLogP4.84
TPSA93.45 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine with MolForge

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Related Compounds

4-[[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]amino]-1H-indole-6-carboxylic acid
CID 67470672
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 54755230
2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 123451488
2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 123729544
methyl 4-[[4-(1H-indol-5-ylmethylamino)-2-pyridinyl]amino]-1H-indole-6-carboxylate
CID 142764569
4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine
CID 123191794
5-[[2-(1H-indol-5-ylmethylamino)pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid
CID 118481332
4-N-(1H-indol-5-ylmethyl)-2-N-[2-(5-phenoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 123644006
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
N-(1H-indol-5-ylmethyl)-3,5-dimethylaniline;hydrochloride
CID 17221817
2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
CID 123687026
2-N-(1H-indol-4-yl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25103278

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine?
The IUPAC name of 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine (CID 123314753) is 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine.
What is the SMILES notation for 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine?
The canonical SMILES for 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine is CNc1cc(Nc2nccc(NCc3ccc4[nH]ccc4c3)n2)c2cc[nH]c2c1.
What is the InChIKey of 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine?
The InChIKey is FMRKBCTVVXTKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7/c1-23-16-11-19-17(5-8-25-19)20(12-16)28-22-26-9-6-21(29-22)27-13-14-2-3-18-15(10-14)4-7-24-18/h2-12,23-25H,13H2,1H3,(H2,26,27,28,29).
What are the key properties of 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine?
4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine has a molecular weight of 383.46 g/mol, XLogP of 4.84, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine is sourced from PubChem (CID 123314753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).