2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one

C23H22N6O2 — CID 86267406

IUPAC2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCCNc1ncc(-c2ccc(Oc3ccnc(-c4ccc(C)nc4)c3)c(C)n2)c(=O)[nH]1
InChIInChI=1S/C23H22N6O2/c1-4-24-23-27-13-18(22(30)29-23)19-7-8-21(15(3)28-19)31-17-9-10-25-20(11-17)16-6-5-14(2)26-12-16/h5-13H,4H2,1-3H3,(H2,24,27,29,30)
InChIKeyDOWOUVMBSQUOLY-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.13
Rot. Bonds6

About 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one

2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 86267406) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID86267406
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCCNc1ncc(-c2ccc(Oc3ccnc(-c4ccc(C)nc4)c3)c(C)n2)c(=O)[nH]1
InChIInChI=1S/C23H22N6O2/c1-4-24-23-27-13-18(22(30)29-23)19-7-8-21(15(3)28-19)31-17-9-10-25-20(11-17)16-6-5-14(2)26-12-16/h5-13H,4H2,1-3H3,(H2,24,27,29,30)
InChIKeyDOWOUVMBSQUOLY-UHFFFAOYSA-N
XLogP4.13
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one (CID 86267406) is 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one is CCNc1ncc(-c2ccc(Oc3ccnc(-c4ccc(C)nc4)c3)c(C)n2)c(=O)[nH]1.
What is the InChIKey of 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is DOWOUVMBSQUOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-4-24-23-27-13-18(22(30)29-23)19-7-8-21(15(3)28-19)31-17-9-10-25-20(11-17)16-6-5-14(2)26-12-16/h5-13H,4H2,1-3H3,(H2,24,27,29,30).
What are the key properties of 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 414.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-[6-methyl-5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 86267406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).