5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine

C23H20N6O — CID 155124114

IUPAC5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(C#Cc2cccc3cccnc23)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C23H20N6O/c1-14(2)18-12-27-17(11-19(18)30-20-13-28-23(25)29-22(20)24)9-8-16-6-3-5-15-7-4-10-26-21(15)16/h3-7,10-14H,1-2H3,(H4,24,25,28,29)
InChIKeyGHVNDPJDWUQRFN-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.90
Rot. Bonds3

About 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine

5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine (PubChem CID 155124114) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
PubChem CID155124114
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine
SMILESCC(C)c1cnc(C#Cc2cccc3cccnc23)cc1Oc1cnc(N)nc1N
InChIInChI=1S/C23H20N6O/c1-14(2)18-12-27-17(11-19(18)30-20-13-28-23(25)29-22(20)24)9-8-16-6-3-5-15-7-4-10-26-21(15)16/h3-7,10-14H,1-2H3,(H4,24,25,28,29)
InChIKeyGHVNDPJDWUQRFN-UHFFFAOYSA-N
XLogP3.90
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]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

6-Ethyl-5-{3-[3-(Isoquinolin-5-Yl)-5-Methoxyphenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 71560296
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
5-(((2-Methylpyridin-3-yl)oxy)methyl)quinazoline-2,4-diamine
CID 137636390
N4-[2-[4-(2-pyridylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 509556
4-Quinazolinamine, N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-
CID 11666313
5-(Pyridin-2-ylmethoxy)quinazoline-2,4-diamine
CID 11701713
5-[(4,8-Dimethoxy-2-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 14570338
5-[[4-(Dimethylamino)-8-methoxy-2-methylquinolin-6-yl]methyl]pyrimidine-2,4-diamine
CID 14570339
5-[(8-Methoxy-4-methylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323035
5-[(8-Methoxyquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323057
5-[(8-Methoxy-2,4-dimethylquinolin-6-yl)methyl]pyrimidine-2,4-diamine
CID 23323062
5-{[8-(2-Methoxyethoxy)quinolin-6-yl]methyl}pyrimidine-2,4-diamine
CID 23323073

Frequently Asked Questions

What is the IUPAC name of 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine (CID 155124114) is 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine is CC(C)c1cnc(C#Cc2cccc3cccnc23)cc1Oc1cnc(N)nc1N.
What is the InChIKey of 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
The InChIKey is GHVNDPJDWUQRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-14(2)18-12-27-17(11-19(18)30-20-13-28-23(25)29-22(20)24)9-8-16-6-3-5-15-7-4-10-26-21(15)16/h3-7,10-14H,1-2H3,(H4,24,25,28,29).
What are the key properties of 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine?
5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine has a molecular weight of 396.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-propan-2-yl-2-(2-quinolin-8-ylethynyl)-4-pyridinyl]oxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 155124114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).