2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine

C26H29N7 — CID 123729544

IUPAC2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)CCc1c[nH]c2ccc(CNc3nccc(NCc4ccc5[nH]ccc5c4)n3)cc12
InChIInChI=1S/C26H29N7/c1-33(2)12-9-21-17-29-24-6-4-19(14-22(21)24)16-31-26-28-11-8-25(32-26)30-15-18-3-5-23-20(13-18)7-10-27-23/h3-8,10-11,13-14,17,27,29H,9,12,15-16H2,1-2H3,(H2,28,30,31,32)
InChIKeyGFGCMIFCMLDQHG-UHFFFAOYSA-N
MW439.57 g/mol
LogP4.77
Rot. Bonds9

About 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine

2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 123729544) has the molecular formula C26H29N7 and a molecular weight of 439.57 g/mol. Its IUPAC name is 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID123729544
Molecular FormulaC26H29N7
Molecular Weight439.57 g/mol
Exact Mass439.25
IUPAC Name2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(C)CCc1c[nH]c2ccc(CNc3nccc(NCc4ccc5[nH]ccc5c4)n3)cc12
InChIInChI=1S/C26H29N7/c1-33(2)12-9-21-17-29-24-6-4-19(14-22(21)24)16-31-26-28-11-8-25(32-26)30-15-18-3-5-23-20(13-18)7-10-27-23/h3-8,10-11,13-14,17,27,29H,9,12,15-16H2,1-2H3,(H2,28,30,31,32)
InChIKeyGFGCMIFCMLDQHG-UHFFFAOYSA-N
XLogP4.77
TPSA84.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.57
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-(1H-indol-5-ylmethyl)-2-N-[2-(5-phenoxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 123644006
N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1-methylimidazol-2-amine
CID 19970906
2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 123451488
3-[2-[[2-(1H-indol-5-ylmethylamino)-4-pyridinyl]amino]ethyl]-1H-indol-5-ol
CID 142764565
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 54755230
4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine
CID 123314753
2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 123378787
4-N-(1H-indazol-5-ylmethyl)-2-N-(1H-indol-6-ylmethyl)pyrimidine-2,4-diamine
CID 123191794
[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
4-[[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]amino]-1H-indole-6-carboxylic acid
CID 67470672
3-N-(1H-indol-5-ylmethyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 102910480
5-[[2-(1H-indol-5-ylmethylamino)pyrimidin-4-yl]amino]-1H-indole-2-carboxylic acid
CID 118481332

Frequently Asked Questions

What is the IUPAC name of 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine (CID 123729544) is 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine is CN(C)CCc1c[nH]c2ccc(CNc3nccc(NCc4ccc5[nH]ccc5c4)n3)cc12.
What is the InChIKey of 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is GFGCMIFCMLDQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7/c1-33(2)12-9-21-17-29-24-6-4-19(14-22(21)24)16-31-26-28-11-8-25(32-26)30-15-18-3-5-23-20(13-18)7-10-27-23/h3-8,10-11,13-14,17,27,29H,9,12,15-16H2,1-2H3,(H2,28,30,31,32).
What are the key properties of 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 439.57 g/mol, XLogP of 4.77, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 123729544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).