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

C13H10ClN5 — CID 116797540

IUPAC2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H10ClN5/c14-9-3-4-10(12-8(9)2-1-6-16-12)18-13-17-7-5-11(15)19-13/h1-7H,(H3,15,17,18,19)
InChIKeySIUQFGYPAIIFGO-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.00
Rot. Bonds2

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

2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine (PubChem CID 116797540) has the molecular formula C13H10ClN5 and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
PubChem CID116797540
Molecular FormulaC13H10ClN5
Molecular Weight271.71 g/mol
Exact Mass271.06
IUPAC Name2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
SMILESNc1ccnc(Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C13H10ClN5/c14-9-3-4-10(12-8(9)2-1-6-16-12)18-13-17-7-5-11(15)19-13/h1-7H,(H3,15,17,18,19)
InChIKeySIUQFGYPAIIFGO-UHFFFAOYSA-N
XLogP3.00
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.00
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
6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116785193
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112
5-chloro-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)quinolin-8-amine
CID 116785194
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
CID 116783012
5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
CID 116785816
2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
CID 116783002
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
3-[(4-aminopyrimidin-2-yl)amino]-2-chlorophenol
CID 69399875

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine (CID 116797540) is 2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine is Nc1ccnc(Nc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine?
The InChIKey is SIUQFGYPAIIFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5/c14-9-3-4-10(12-8(9)2-1-6-16-12)18-13-17-7-5-11(15)19-13/h1-7H,(H3,15,17,18,19).
What are the key properties of 2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine?
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine has a molecular weight of 271.71 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).