5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine

C22H18BrN5 — CID 10137648

IUPAC5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3ncccc3c2)nc1NC1Cc2ccccc2C1
InChIInChI=1S/C22H18BrN5/c23-19-13-25-22(27-17-7-8-20-16(12-17)6-3-9-24-20)28-21(19)26-18-10-14-4-1-2-5-15(14)11-18/h1-9,12-13,18H,10-11H2,(H2,25,26,27,28)
InChIKeyWECVVFDIYDKVIX-UHFFFAOYSA-N
MW432.33 g/mol
LogP5.11
Rot. Bonds4

About 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine

5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine (PubChem CID 10137648) has the molecular formula C22H18BrN5 and a molecular weight of 432.33 g/mol. Its IUPAC name is 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine
PubChem CID10137648
Molecular FormulaC22H18BrN5
Molecular Weight432.33 g/mol
Exact Mass431.07
IUPAC Name5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine
SMILESBrc1cnc(Nc2ccc3ncccc3c2)nc1NC1Cc2ccccc2C1
InChIInChI=1S/C22H18BrN5/c23-19-13-25-22(27-17-7-8-20-16(12-17)6-3-9-24-20)28-21(19)26-18-10-14-4-1-2-5-15(14)11-18/h1-9,12-13,18H,10-11H2,(H2,25,26,27,28)
InChIKeyWECVVFDIYDKVIX-UHFFFAOYSA-N
XLogP5.11
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.33
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine with MolForge

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Related Compounds

6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117080182
5-bromo-4-N-quinolin-6-ylpyridine-3,4-diamine
CID 103518059
N-(4,6-dihydrazinylpyrimidin-2-yl)quinolin-6-amine
CID 139976319
N-(quinolin-6-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694189
3-(cyclobutylamino)-4-(quinolin-6-ylamino)cyclobut-3-ene-1,2-dione
CID 175497517
2-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-4-N-quinolin-6-ylpyrimidine-2,4,5-triamine
CID 90390043
4-N-cyclopropyl-6-N-quinolin-6-ylpyrimidine-4,6-diamine
CID 117083767
5-bromo-4-N-pyrimidin-2-yl-2-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrimidine-2,4-diamine
CID 175357106
2-(quinolin-6-ylamino)pyridin-3-ol
CID 139352880
N-(2,3-dihydro-1H-inden-2-yl)quinazolin-2-amine
CID 107850601
1-N-quinolin-6-ylcyclobutane-1,3-diamine
CID 80562353
5-bromo-2-N-(3-chloro-4-fluorophenyl)-4-N-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 59354541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine (CID 10137648) is 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine is Brc1cnc(Nc2ccc3ncccc3c2)nc1NC1Cc2ccccc2C1.
What is the InChIKey of 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine?
The InChIKey is WECVVFDIYDKVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5/c23-19-13-25-22(27-17-7-8-20-16(12-17)6-3-9-24-20)28-21(19)26-18-10-14-4-1-2-5-15(14)11-18/h1-9,12-13,18H,10-11H2,(H2,25,26,27,28).
What are the key properties of 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine?
5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine has a molecular weight of 432.33 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(2,3-dihydro-1H-inden-2-yl)-2-N-quinolin-6-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 10137648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).