4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine

C19H16N6O — CID 19144947

IUPAC4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Nc3ncnc(Oc4cccnc4)c3N)c2n1
InChIInChI=1S/C19H16N6O/c1-12-7-8-13-4-2-6-15(17(13)24-12)25-18-16(20)19(23-11-22-18)26-14-5-3-9-21-10-14/h2-11H,20H2,1H3,(H,22,23,25)
InChIKeyMACBPCSADBDETC-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.85
Rot. Bonds4

About 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine

4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine (PubChem CID 19144947) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
PubChem CID19144947
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESCc1ccc2cccc(Nc3ncnc(Oc4cccnc4)c3N)c2n1
InChIInChI=1S/C19H16N6O/c1-12-7-8-13-4-2-6-15(17(13)24-12)25-18-16(20)19(23-11-22-18)26-14-5-3-9-21-10-14/h2-11H,20H2,1H3,(H,22,23,25)
InChIKeyMACBPCSADBDETC-UHFFFAOYSA-N
XLogP3.85
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144945
4-N-methyl-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19135112
4-N-(2,4-dimethylphenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141896
6-N-(2-methylquinolin-8-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135607
4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144951
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144885
4-N-(2-bromophenyl)-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19141774
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144907
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 22541174
methyl 4-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144895

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine (CID 19144947) is 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine is Cc1ccc2cccc(Nc3ncnc(Oc4cccnc4)c3N)c2n1.
What is the InChIKey of 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The InChIKey is MACBPCSADBDETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-7-8-13-4-2-6-15(17(13)24-12)25-18-16(20)19(23-11-22-18)26-14-5-3-9-21-10-14/h2-11H,20H2,1H3,(H,22,23,25).
What are the key properties of 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine has a molecular weight of 344.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19144947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).