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

C13H9Cl2N5 — CID 116785193

IUPAC6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H9Cl2N5/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,(H3,16,18,19,20)
InChIKeyCGGAOXZBYDQALN-UHFFFAOYSA-N
MW306.16 g/mol
LogP3.66
Rot. Bonds2

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

6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine (PubChem CID 116785193) has the molecular formula C13H9Cl2N5 and a molecular weight of 306.16 g/mol. Its IUPAC name is 6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
PubChem CID116785193
Molecular FormulaC13H9Cl2N5
Molecular Weight306.16 g/mol
Exact Mass305.02
IUPAC Name6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
SMILESNc1nc(Cl)cc(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H9Cl2N5/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,(H3,16,18,19,20)
InChIKeyCGGAOXZBYDQALN-UHFFFAOYSA-N
XLogP3.66
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
CID 116785810
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
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
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
CID 116785833

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine (CID 116785193) is 6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine is Nc1nc(Cl)cc(Nc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine?
The InChIKey is CGGAOXZBYDQALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5/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,(H3,16,18,19,20).
What are the key properties of 6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine?
6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine has a molecular weight of 306.16 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116785193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).