6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine

C17H14Cl2FN5O — CID 156505188

IUPAC6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2nc1OC1CNC1
InChIInChI=1S/C17H14Cl2FN5O/c1-8-4-12-15(25-17(8)26-9-5-21-6-9)16(23-7-22-12)24-11-3-2-10(18)13(19)14(11)20/h2-4,7,9,21H,5-6H2,1H3,(H,22,23,24)
InChIKeyWIBAELPSDWNSAX-UHFFFAOYSA-N
MW394.24 g/mol
LogP3.87
Rot. Bonds4

About 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine

6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine (PubChem CID 156505188) has the molecular formula C17H14Cl2FN5O and a molecular weight of 394.24 g/mol. Its IUPAC name is 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine
PubChem CID156505188
Molecular FormulaC17H14Cl2FN5O
Molecular Weight394.24 g/mol
Exact Mass393.06
IUPAC Name6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine
SMILESCc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2nc1OC1CNC1
InChIInChI=1S/C17H14Cl2FN5O/c1-8-4-12-15(25-17(8)26-9-5-21-6-9)16(23-7-22-12)24-11-3-2-10(18)13(19)14(11)20/h2-4,7,9,21H,5-6H2,1H3,(H,22,23,24)
InChIKeyWIBAELPSDWNSAX-UHFFFAOYSA-N
XLogP3.87
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine (CID 156505188) is 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine is Cc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3F)c2nc1OC1CNC1.
What is the InChIKey of 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is WIBAELPSDWNSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2FN5O/c1-8-4-12-15(25-17(8)26-9-5-21-6-9)16(23-7-22-12)24-11-3-2-10(18)13(19)14(11)20/h2-4,7,9,21H,5-6H2,1H3,(H,22,23,24).
What are the key properties of 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine?
6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 394.24 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-yloxy)-N-(3,4-dichloro-2-fluorophenyl)-7-methylpyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 156505188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).