4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine

C21H18N6 — CID 54755230

IUPAC4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2ccnc(NCc3ccc4[nH]ccc4c3)n2)c2cc[nH]c2c1
InChIInChI=1S/C21H18N6/c1-2-18-16(7-10-23-18)19(3-1)26-20-8-11-24-21(27-20)25-13-14-4-5-17-15(12-14)6-9-22-17/h1-12,22-23H,13H2,(H2,24,25,26,27)
InChIKeyCGFOOISFUXEALI-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.79
Rot. Bonds5

About 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine

4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 54755230) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID54755230
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC Name4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESc1cc(Nc2ccnc(NCc3ccc4[nH]ccc4c3)n2)c2cc[nH]c2c1
InChIInChI=1S/C21H18N6/c1-2-18-16(7-10-23-18)19(3-1)26-20-8-11-24-21(27-20)25-13-14-4-5-17-15(12-14)6-9-22-17/h1-12,22-23H,13H2,(H2,24,25,26,27)
InChIKeyCGFOOISFUXEALI-UHFFFAOYSA-N
XLogP4.79
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)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

4-[[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]amino]-1H-indole-6-carboxylic acid
CID 67470672
4-N-[4-(1H-indol-5-ylmethylamino)pyrimidin-2-yl]-6-N-methyl-1H-indole-4,6-diamine
CID 123314753
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
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)-1H-indazol-4-amine
CID 102910187
2-N-(1H-indol-4-yl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25103278
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
2-N-(1H-indol-4-yl)-4-N-[(2-methylindol-1-yl)methyl]pyrimidine-2,4-diamine
CID 123687026
2-N-[(4-chlorophenyl)methyl]-4-N-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
CID 112892101

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine (CID 54755230) is 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine is c1cc(Nc2ccnc(NCc3ccc4[nH]ccc4c3)n2)c2cc[nH]c2c1.
What is the InChIKey of 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is CGFOOISFUXEALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-2-18-16(7-10-23-18)19(3-1)26-20-8-11-24-21(27-20)25-13-14-4-5-17-15(12-14)6-9-22-17/h1-12,22-23H,13H2,(H2,24,25,26,27).
What are the key properties of 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine?
4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 354.42 g/mol, XLogP of 4.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indol-4-yl)-2-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 54755230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).