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

C20H19N7O2 — CID 86267409

IUPAC2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)c(=O)[nH]1
InChIInChI=1S/C20H19N7O2/c1-12-18(5-4-16(25-12)15-10-23-20(21-2)26-19(15)28)29-14-6-7-22-17(8-14)13-9-24-27(3)11-13/h4-11H,1-3H3,(H2,21,23,26,28)
InChIKeyXFNRLIYZGAJIKI-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.77
Rot. Bonds5

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

2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one (PubChem CID 86267409) has the molecular formula C20H19N7O2 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
PubChem CID86267409
Molecular FormulaC20H19N7O2
Molecular Weight389.42 g/mol
Exact Mass389.16
IUPAC Name2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one
SMILESCNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)c(=O)[nH]1
InChIInChI=1S/C20H19N7O2/c1-12-18(5-4-16(25-12)15-10-23-20(21-2)26-19(15)28)29-14-6-7-22-17(8-14)13-9-24-27(3)11-13/h4-11H,1-3H3,(H2,21,23,26,28)
InChIKeyXFNRLIYZGAJIKI-UHFFFAOYSA-N
XLogP2.77
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one (CID 86267409) is 2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one is CNc1ncc(-c2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(C)n2)c(=O)[nH]1.
What is the InChIKey of 2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
The InChIKey is XFNRLIYZGAJIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2/c1-12-18(5-4-16(25-12)15-10-23-20(21-2)26-19(15)28)29-14-6-7-22-17(8-14)13-9-24-27(3)11-13/h4-11H,1-3H3,(H2,21,23,26,28).
What are the key properties of 2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one?
2-(methylamino)-5-[6-methyl-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 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-5-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 86267409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).