5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine

C16H17N5O — CID 23323035

IUPAC5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c(C)ccnc12
InChIInChI=1S/C16H17N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h3-4,6-8H,5H2,1-2H3,(H4,17,18,20,21)
InChIKeyPNIDNYHVEDLMSB-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.10
Rot. Bonds3

About 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine

5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 23323035) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
PubChem CID23323035
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(Cc2cnc(N)nc2N)cc2c(C)ccnc12
InChIInChI=1S/C16H17N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h3-4,6-8H,5H2,1-2H3,(H4,17,18,20,21)
InChIKeyPNIDNYHVEDLMSB-UHFFFAOYSA-N
XLogP2.10
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lexibulin
CID 11351021
Cp-724714
CID 9874913
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
4-[8-Methoxy-2-[(1-methylpyrazol-4-yl)amino]quinazolin-6-yl]phenol
CID 162423119
Vuf5574
CID 4046493

Frequently Asked Questions

What is the IUPAC name of 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine (CID 23323035) is 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is COc1cc(Cc2cnc(N)nc2N)cc2c(C)ccnc12.
What is the InChIKey of 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is PNIDNYHVEDLMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9-3-4-19-14-12(9)6-10(7-13(14)22-2)5-11-8-20-16(18)21-15(11)17/h3-4,6-8H,5H2,1-2H3,(H4,17,18,20,21).
What are the key properties of 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine?
5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 295.35 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(8-methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 23323035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).