4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine

C15H14ClN5 — CID 116785833

IUPAC4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H14ClN5/c1-2-9-14(17)19-8-20-15(9)21-12-6-5-11(16)10-4-3-7-18-13(10)12/h3-8H,2H2,1H3,(H3,17,19,20,21)
InChIKeyOKNVXAKHCIUCIS-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.57
Rot. Bonds3

About 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine

4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 116785833) has the molecular formula C15H14ClN5 and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
PubChem CID116785833
Molecular FormulaC15H14ClN5
Molecular Weight299.76 g/mol
Exact Mass299.09
IUPAC Name4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H14ClN5/c1-2-9-14(17)19-8-20-15(9)21-12-6-5-11(16)10-4-3-7-18-13(10)12/h3-8H,2H2,1H3,(H3,17,19,20,21)
InChIKeyOKNVXAKHCIUCIS-UHFFFAOYSA-N
XLogP3.57
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80769140
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80835155
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
4-N-(4-chloro-2,5-dimethoxyphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80748285
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
CID 116785816

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine (CID 116785833) is 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is OKNVXAKHCIUCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5/c1-2-9-14(17)19-8-20-15(9)21-12-6-5-11(16)10-4-3-7-18-13(10)12/h3-8H,2H2,1H3,(H3,17,19,20,21).
What are the key properties of 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine?
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 299.76 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 116785833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).