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

C14H12ClN5 — CID 23477635

IUPAC6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2c(Nc3ncnc(Cl)c3N)cccc2n1
InChIInChI=1S/C14H12ClN5/c1-8-5-6-9-10(19-8)3-2-4-11(9)20-14-12(16)13(15)17-7-18-14/h2-7H,16H2,1H3,(H,17,18,20)
InChIKeyJHLRIDNERJGCLI-UHFFFAOYSA-N
MW285.74 g/mol
LogP3.31
Rot. Bonds2

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

6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine (PubChem CID 23477635) has the molecular formula C14H12ClN5 and a molecular weight of 285.74 g/mol. Its IUPAC name is 6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
PubChem CID23477635
Molecular FormulaC14H12ClN5
Molecular Weight285.74 g/mol
Exact Mass285.08
IUPAC Name6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2c(Nc3ncnc(Cl)c3N)cccc2n1
InChIInChI=1S/C14H12ClN5/c1-8-5-6-9-10(19-8)3-2-4-11(9)20-14-12(16)13(15)17-7-18-14/h2-7H,16H2,1H3,(H,17,18,20)
InChIKeyJHLRIDNERJGCLI-UHFFFAOYSA-N
XLogP3.31
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19137237
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19150610
6-N-[(4-fluorophenyl)methyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 19153840
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19150697
N'-[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19152023
6-(4-methylpiperidin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19140413
3-[[5-amino-6-[(2-methylquinolin-5-yl)amino]pyrimidin-4-yl]-(2-cyanoethyl)amino]propanenitrile
CID 19141561
4-N-ethyl-6-N-(2-methylquinolin-5-yl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545924
6-chloro-4-N-(3-fluoro-2-methylphenyl)pyrimidine-4,5-diamine
CID 63022392
4-N-(6-methyl-2-pyridinyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22542411
6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine
CID 19147420
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5,6-triamine
CID 22541782

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine (CID 23477635) is 6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine is Cc1ccc2c(Nc3ncnc(Cl)c3N)cccc2n1.
What is the InChIKey of 6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
The InChIKey is JHLRIDNERJGCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5/c1-8-5-6-9-10(19-8)3-2-4-11(9)20-14-12(16)13(15)17-7-18-14/h2-7H,16H2,1H3,(H,17,18,20).
What are the key properties of 6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine?
6-chloro-4-N-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine has a molecular weight of 285.74 g/mol, XLogP of 3.31, 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-(2-methylquinolin-5-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 23477635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).