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

C20H19N7O2 — CID 86267410

IUPAC2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCCNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cn2)c(=O)[nH]1
InChIInChI=1S/C20H19N7O2/c1-3-21-20-24-11-16(19(28)26-20)17-5-4-15(10-23-17)29-14-6-7-22-18(8-14)13-9-25-27(2)12-13/h4-12H,3H2,1-2H3,(H2,21,24,26,28)
InChIKeyGTWNQGXKDRADED-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.85
Rot. Bonds6

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

2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 86267410) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID86267410
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCCNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cn2)c(=O)[nH]1
InChIInChI=1S/C20H19N7O2/c1-3-21-20-24-11-16(19(28)26-20)17-5-4-15(10-23-17)29-14-6-7-22-18(8-14)13-9-25-27(2)12-13/h4-12H,3H2,1-2H3,(H2,21,24,26,28)
InChIKeyGTWNQGXKDRADED-UHFFFAOYSA-N
XLogP2.85
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one (CID 86267410) is 2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one is CCNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cn2)c(=O)[nH]1.
What is the InChIKey of 2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is GTWNQGXKDRADED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-3-21-20-24-11-16(19(28)26-20)17-5-4-15(10-23-17)29-14-6-7-22-18(8-14)13-9-25-27(2)12-13/h4-12H,3H2,1-2H3,(H2,21,24,26,28).
What are the key properties of 2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one has a molecular weight of 389.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-5-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 86267410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).