6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine

C18H16F2N4O2 — CID 11428301

IUPAC6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESFc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3cn2)c(F)c1
InChIInChI=1S/C18H16F2N4O2/c19-12-1-2-16(14(20)8-12)26-17-7-11-9-22-18(24-15(11)10-21-17)23-13-3-5-25-6-4-13/h1-2,7-10,13H,3-6H2,(H,22,23,24)
InChIKeyZQIBVNCOZHXDJX-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.69
Rot. Bonds4

About 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine

6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 11428301) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID11428301
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESFc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3cn2)c(F)c1
InChIInChI=1S/C18H16F2N4O2/c19-12-1-2-16(14(20)8-12)26-17-7-11-9-22-18(24-15(11)10-21-17)23-13-3-5-25-6-4-13/h1-2,7-10,13H,3-6H2,(H,22,23,24)
InChIKeyZQIBVNCOZHXDJX-UHFFFAOYSA-N
XLogP3.69
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 11428301) is 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine is Fc1ccc(Oc2cc3cnc(NC4CCOCC4)nc3cn2)c(F)c1.
What is the InChIKey of 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is ZQIBVNCOZHXDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c19-12-1-2-16(14(20)8-12)26-17-7-11-9-22-18(24-15(11)10-21-17)23-13-3-5-25-6-4-13/h1-2,7-10,13H,3-6H2,(H,22,23,24).
What are the key properties of 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine?
6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 358.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenoxy)-N-(oxan-4-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 11428301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).