5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine

C26H25BrN6 — CID 10323740

IUPAC5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NC1CC1c1ccccc1
InChIInChI=1S/C26H25BrN6/c27-22-15-30-26(33-25(22)32-24-13-19(24)16-4-2-1-3-5-16)31-18-6-7-23-20(12-18)21(14-29-23)17-8-10-28-11-9-17/h1-8,12,14-15,19,24,28-29H,9-11,13H2,(H2,30,31,32,33)
InChIKeyBRBUMRLHWGAKAQ-UHFFFAOYSA-N
MW501.43 g/mol
LogP5.81
Rot. Bonds6

About 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine

5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine (PubChem CID 10323740) has the molecular formula C26H25BrN6 and a molecular weight of 501.43 g/mol. Its IUPAC name is 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine
PubChem CID10323740
Molecular FormulaC26H25BrN6
Molecular Weight501.43 g/mol
Exact Mass500.13
IUPAC Name5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NC1CC1c1ccccc1
InChIInChI=1S/C26H25BrN6/c27-22-15-30-26(33-25(22)32-24-13-19(24)16-4-2-1-3-5-16)31-18-6-7-23-20(12-18)21(14-29-23)17-8-10-28-11-9-17/h1-8,12,14-15,19,24,28-29H,9-11,13H2,(H2,30,31,32,33)
InChIKeyBRBUMRLHWGAKAQ-UHFFFAOYSA-N
XLogP5.81
TPSA77.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.43
LogP ≤ 55.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine (CID 10323740) is 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine is Brc1cnc(Nc2ccc3[nH]cc(C4=CCNCC4)c3c2)nc1NC1CC1c1ccccc1.
What is the InChIKey of 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine?
The InChIKey is BRBUMRLHWGAKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN6/c27-22-15-30-26(33-25(22)32-24-13-19(24)16-4-2-1-3-5-16)31-18-6-7-23-20(12-18)21(14-29-23)17-8-10-28-11-9-17/h1-8,12,14-15,19,24,28-29H,9-11,13H2,(H2,30,31,32,33).
What are the key properties of 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine?
5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine has a molecular weight of 501.43 g/mol, XLogP of 5.81, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2-phenylcyclopropyl)-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-5-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 10323740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).