4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine

C13H11ClN6 — CID 116785810

IUPAC4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccc(Cl)c3cccnc23)nc(N)n1
InChIInChI=1S/C13H11ClN6/c14-8-3-4-9(12-7(8)2-1-5-17-12)18-11-6-10(15)19-13(16)20-11/h1-6H,(H5,15,16,18,19,20)
InChIKeyFZWJDWNHDIRTLG-UHFFFAOYSA-N
MW286.73 g/mol
LogP2.59
Rot. Bonds2

About 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine

4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine (PubChem CID 116785810) has the molecular formula C13H11ClN6 and a molecular weight of 286.73 g/mol. Its IUPAC name is 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
PubChem CID116785810
Molecular FormulaC13H11ClN6
Molecular Weight286.73 g/mol
Exact Mass286.07
IUPAC Name4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
SMILESNc1cc(Nc2ccc(Cl)c3cccnc23)nc(N)n1
InChIInChI=1S/C13H11ClN6/c14-8-3-4-9(12-7(8)2-1-5-17-12)18-11-6-10(15)19-13(16)20-11/h1-6H,(H5,15,16,18,19,20)
InChIKeyFZWJDWNHDIRTLG-UHFFFAOYSA-N
XLogP2.59
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116785193
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
CID 116783012
2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
CID 116783002
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
CID 64525415

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine (CID 116785810) is 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine is Nc1cc(Nc2ccc(Cl)c3cccnc23)nc(N)n1.
What is the InChIKey of 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine?
The InChIKey is FZWJDWNHDIRTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6/c14-8-3-4-9(12-7(8)2-1-5-17-12)18-11-6-10(15)19-13(16)20-11/h1-6H,(H5,15,16,18,19,20).
What are the key properties of 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine?
4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine has a molecular weight of 286.73 g/mol, XLogP of 2.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 116785810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).