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

C21H20N8O2 — CID 59507731

IUPAC2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(=O)[nH]1
InChIInChI=1S/C21H20N8O2/c22-20-24-12-15(19(30)28-20)17-10-18(27-21(26-17)29-5-7-31-8-6-29)25-14-9-13-3-1-2-4-16(13)23-11-14/h1-4,9-12H,5-8H2,(H,25,26,27)(H3,22,24,28,30)
InChIKeyUVQOEYYQNJINOI-UHFFFAOYSA-N
MW416.45 g/mol
LogP1.94
Rot. Bonds4

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

2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 59507731) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one
PubChem CID59507731
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one
SMILESNc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(=O)[nH]1
InChIInChI=1S/C21H20N8O2/c22-20-24-12-15(19(30)28-20)17-10-18(27-21(26-17)29-5-7-31-8-6-29)25-14-9-13-3-1-2-4-16(13)23-11-14/h1-4,9-12H,5-8H2,(H,25,26,27)(H3,22,24,28,30)
InChIKeyUVQOEYYQNJINOI-UHFFFAOYSA-N
XLogP1.94
TPSA134.94 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one (CID 59507731) is 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one is Nc1ncc(-c2cc(Nc3cnc4ccccc4c3)nc(N3CCOCC3)n2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is UVQOEYYQNJINOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c22-20-24-12-15(19(30)28-20)17-10-18(27-21(26-17)29-5-7-31-8-6-29)25-14-9-13-3-1-2-4-16(13)23-11-14/h1-4,9-12H,5-8H2,(H,25,26,27)(H3,22,24,28,30).
What are the key properties of 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one?
2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 416.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-morpholin-4-yl-6-(quinolin-3-ylamino)pyrimidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 59507731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).