2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

C24H24N6O2 — CID 10202829

IUPAC2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1
InChIInChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29)
InChIKeyLNEPMZDEABTAPY-UHFFFAOYSA-N
MW428.50 g/mol
LogP4.36
Rot. Bonds6

About 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 10202829) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID10202829
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1
InChIInChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29)
InChIKeyLNEPMZDEABTAPY-UHFFFAOYSA-N
XLogP4.36
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 10202829) is 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)ccc1N1CCOCC1.
What is the InChIKey of 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is LNEPMZDEABTAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-31-22-15-18(6-7-21(22)30-10-12-32-13-11-30)28-24-25-9-8-23(29-24)27-19-14-17-4-2-3-5-20(17)26-16-19/h2-9,14-16H,10-13H2,1H3,(H2,25,27,28,29).
What are the key properties of 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine has a molecular weight of 428.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxy-4-morpholin-4-ylphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 10202829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).