2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

C13H15N3O2 — CID 136955718

IUPAC2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(Cc2cccnc2)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O2/c1-2-18-9-12-15-11(7-13(17)16-12)6-10-4-3-5-14-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,15,16,17)
InChIKeyWHLQTJOVULKUJI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.29
Rot. Bonds5

About 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one

2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 136955718) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
PubChem CID136955718
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
SMILESCCOCc1nc(Cc2cccnc2)cc(=O)[nH]1
InChIInChI=1S/C13H15N3O2/c1-2-18-9-12-15-11(7-13(17)16-12)6-10-4-3-5-14-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,15,16,17)
InChIKeyWHLQTJOVULKUJI-UHFFFAOYSA-N
XLogP1.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethoxymethyl)-4-(4-ethylphenyl)-1H-pyrimidin-6-one
CID 136692419
5-ethyl-4-hydroxy-2-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
CID 55215281
3-(pyridin-3-ylmethyl)-1H-pyridazin-6-one
CID 106521313
4-(3-cyclopropyloxyphenyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 136770296
2-(2-ethoxyethyl)-4-ethyl-1H-pyrimidin-6-one
CID 136745753
2-(ethoxymethyl)-4-(4-methoxy-2-methylphenyl)-1H-pyrimidin-6-one
CID 136769346
2-(ethoxymethyl)-4-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136692538
2-(ethoxymethyl)-4-(2-propoxyphenyl)-1H-pyrimidin-6-one
CID 136770120
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
2-(ethoxymethyl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 136770437
2-(ethoxymethyl)-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1H-pyrimidin-6-one
CID 136769457
4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one
CID 137273215

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one (CID 136955718) is 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one is CCOCc1nc(Cc2cccnc2)cc(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is WHLQTJOVULKUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-18-9-12-15-11(7-13(17)16-12)6-10-4-3-5-14-8-10/h3-5,7-8H,2,6,9H2,1H3,(H,15,16,17).
What are the key properties of 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one?
2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 245.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-4-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).