5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one

C21H19N7O2 — CID 53317512

IUPAC5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c[nH]1
InChIInChI=1S/C21H19N7O2/c29-21-23-11-15(12-24-21)18-10-19(27-20(26-18)28-5-7-30-8-6-28)25-16-9-14-3-1-2-4-17(14)22-13-16/h1-4,9-13H,5-8H2,(H,23,24,29)(H,25,26,27)
InChIKeyPIIRYJPFVYQGQB-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.36
Rot. Bonds4

About 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one

5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one (PubChem CID 53317512) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one
PubChem CID53317512
Molecular FormulaC21H19N7O2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c[nH]1
InChIInChI=1S/C21H19N7O2/c29-21-23-11-15(12-24-21)18-10-19(27-20(26-18)28-5-7-30-8-6-28)25-16-9-14-3-1-2-4-17(14)22-13-16/h1-4,9-13H,5-8H2,(H,23,24,29)(H,25,26,27)
InChIKeyPIIRYJPFVYQGQB-UHFFFAOYSA-N
XLogP2.36
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one (CID 53317512) is 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one is O=c1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c[nH]1.
What is the InChIKey of 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one?
The InChIKey is PIIRYJPFVYQGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O2/c29-21-23-11-15(12-24-21)18-10-19(27-20(26-18)28-5-7-30-8-6-28)25-16-9-14-3-1-2-4-17(14)22-13-16/h1-4,9-13H,5-8H2,(H,23,24,29)(H,25,26,27).
What are the key properties of 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one?
5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one has a molecular weight of 401.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 53317512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).