6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine

C13H10BrN5 — CID 116796810

IUPAC6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C13H10BrN5/c14-11-6-12(15)19-13(18-11)17-9-5-8-3-1-2-4-10(8)16-7-9/h1-7H,(H3,15,17,18,19)
InChIKeyQHUIUZQUWHMRGM-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.11
Rot. Bonds2

About 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine

6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 116796810) has the molecular formula C13H10BrN5 and a molecular weight of 316.16 g/mol. Its IUPAC name is 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID116796810
Molecular FormulaC13H10BrN5
Molecular Weight316.16 g/mol
Exact Mass315.01
IUPAC Name6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESNc1cc(Br)nc(Nc2cnc3ccccc3c2)n1
InChIInChI=1S/C13H10BrN5/c14-11-6-12(15)19-13(18-11)17-9-5-8-3-1-2-4-10(8)16-7-9/h1-7H,(H3,15,17,18,19)
InChIKeyQHUIUZQUWHMRGM-UHFFFAOYSA-N
XLogP3.11
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796334
N-(3-bromo-4-pyridinyl)quinolin-3-amine
CID 113452158
5-bromo-2-(quinolin-3-ylamino)benzonitrile
CID 114890644
N-quinolin-3-ylhydroxylamine
CID 54286324
2-(quinolin-3-ylamino)pyrimidine-4-carbonitrile
CID 107544362
2-bromo-6-(quinolin-3-ylamino)benzenecarbothioamide
CID 114882344
N-(3-chlorophenyl)quinolin-3-amine
CID 24828267
N-bis(quinolin-3-ylamino)phosphorylquinolin-3-amine
CID 139034507
N-quinolin-3-ylpyrido[2,3-b]pyrazin-3-amine
CID 141174905
3-bromoquinoline;hydrobromide
CID 70190019
6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116795396
3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
CID 64523845

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 116796810) is 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine is Nc1cc(Br)nc(Nc2cnc3ccccc3c2)n1.
What is the InChIKey of 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is QHUIUZQUWHMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN5/c14-11-6-12(15)19-13(18-11)17-9-5-8-3-1-2-4-10(8)16-7-9/h1-7H,(H3,15,17,18,19).
What are the key properties of 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine?
6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine has a molecular weight of 316.16 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-quinolin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 116796810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).