6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one

C14H19N5O3 — CID 937191

IUPAC6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(NCC)cc(OC)n2)ccc1=O
InChIInChI=1S/C14H19N5O3/c1-4-8-19-13(20)7-6-11(18-19)22-14-16-10(15-5-2)9-12(17-14)21-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyXPJNLXARUSSDAK-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.68
Rot. Bonds7

About 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one

6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one (PubChem CID 937191) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one
PubChem CID937191
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(NCC)cc(OC)n2)ccc1=O
InChIInChI=1S/C14H19N5O3/c1-4-8-19-13(20)7-6-11(18-19)22-14-16-10(15-5-2)9-12(17-14)21-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16,17)
InChIKeyXPJNLXARUSSDAK-UHFFFAOYSA-N
XLogP1.68
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one?
The IUPAC name of 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one (CID 937191) is 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one?
The canonical SMILES for 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one is CCCn1nc(Oc2nc(NCC)cc(OC)n2)ccc1=O.
What is the InChIKey of 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one?
The InChIKey is XPJNLXARUSSDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-8-19-13(20)7-6-11(18-19)22-14-16-10(15-5-2)9-12(17-14)21-3/h6-7,9H,4-5,8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one?
6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one has a molecular weight of 305.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(ethylamino)-6-methoxypyrimidin-2-yl]oxy-2-propylpyridazin-3-one is sourced from PubChem (CID 937191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).