5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one

C22H20N6O2 — CID 170055092

IUPAC5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one
SMILESCn1c(NC2CC2)ncc(-c2ccc3cc(Oc4ccnc(N)c4)ccc3n2)c1=O
InChIInChI=1S/C22H20N6O2/c1-28-21(29)17(12-25-22(28)26-14-3-4-14)19-6-2-13-10-15(5-7-18(13)27-19)30-16-8-9-24-20(23)11-16/h2,5-12,14H,3-4H2,1H3,(H2,23,24)(H,25,26)
InChIKeyPQVVRGWEVUBVKO-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.34
Rot. Bonds5

About 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one

5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one (PubChem CID 170055092) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one
PubChem CID170055092
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one
SMILESCn1c(NC2CC2)ncc(-c2ccc3cc(Oc4ccnc(N)c4)ccc3n2)c1=O
InChIInChI=1S/C22H20N6O2/c1-28-21(29)17(12-25-22(28)26-14-3-4-14)19-6-2-13-10-15(5-7-18(13)27-19)30-16-8-9-24-20(23)11-16/h2,5-12,14H,3-4H2,1H3,(H2,23,24)(H,25,26)
InChIKeyPQVVRGWEVUBVKO-UHFFFAOYSA-N
XLogP3.34
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one?
The IUPAC name of 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one (CID 170055092) is 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one?
The canonical SMILES for 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one is Cn1c(NC2CC2)ncc(-c2ccc3cc(Oc4ccnc(N)c4)ccc3n2)c1=O.
What is the InChIKey of 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one?
The InChIKey is PQVVRGWEVUBVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-28-21(29)17(12-25-22(28)26-14-3-4-14)19-6-2-13-10-15(5-7-18(13)27-19)30-16-8-9-24-20(23)11-16/h2,5-12,14H,3-4H2,1H3,(H2,23,24)(H,25,26).
What are the key properties of 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one?
5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one has a molecular weight of 400.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2-amino-4-pyridinyl)oxy]quinolin-2-yl]-2-(cyclopropylamino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 170055092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).