4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one

C11H13N5O2 — CID 136790373

IUPAC4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(CCN)cc(=O)[nH]2)nn1
InChIInChI=1S/C11H13N5O2/c1-18-10-3-2-8(15-16-10)11-13-7(4-5-12)6-9(17)14-11/h2-3,6H,4-5,12H2,1H3,(H,13,14,17)
InChIKeyONIPCUIJKJWKDA-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.26
Rot. Bonds4

About 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one

4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one (PubChem CID 136790373) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
PubChem CID136790373
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(CCN)cc(=O)[nH]2)nn1
InChIInChI=1S/C11H13N5O2/c1-18-10-3-2-8(15-16-10)11-13-7(4-5-12)6-9(17)14-11/h2-3,6H,4-5,12H2,1H3,(H,13,14,17)
InChIKeyONIPCUIJKJWKDA-UHFFFAOYSA-N
XLogP-0.26
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one (CID 136790373) is 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one is COc1ccc(-c2nc(CCN)cc(=O)[nH]2)nn1.
What is the InChIKey of 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
The InChIKey is ONIPCUIJKJWKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-18-10-3-2-8(15-16-10)11-13-7(4-5-12)6-9(17)14-11/h2-3,6H,4-5,12H2,1H3,(H,13,14,17).
What are the key properties of 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one?
4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one has a molecular weight of 247.26 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-(6-methoxypyridazin-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136790373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).