2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one

C20H25N3O4 — CID 135485417

IUPAC2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
SMILESCCOc1ccc(Cc2nc(C)c(CC(=O)N3CCOCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-27-16-6-4-15(5-7-16)12-18-21-14(2)17(20(25)22-18)13-19(24)23-8-10-26-11-9-23/h4-7H,3,8-13H2,1-2H3,(H,21,22,25)
InChIKeyJWXXICQJUAZTNM-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.47
Rot. Bonds6

About 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one

2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one (PubChem CID 135485417) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
PubChem CID135485417
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one
SMILESCCOc1ccc(Cc2nc(C)c(CC(=O)N3CCOCC3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H25N3O4/c1-3-27-16-6-4-15(5-7-16)12-18-21-14(2)17(20(25)22-18)13-19(24)23-8-10-26-11-9-23/h4-7H,3,8-13H2,1-2H3,(H,21,22,25)
InChIKeyJWXXICQJUAZTNM-UHFFFAOYSA-N
XLogP1.47
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one (CID 135485417) is 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one is CCOc1ccc(Cc2nc(C)c(CC(=O)N3CCOCC3)c(=O)[nH]2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
The InChIKey is JWXXICQJUAZTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-3-27-16-6-4-15(5-7-16)12-18-21-14(2)17(20(25)22-18)13-19(24)23-8-10-26-11-9-23/h4-7H,3,8-13H2,1-2H3,(H,21,22,25).
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one?
2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one has a molecular weight of 371.44 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-4-methyl-5-(2-morpholin-4-yl-2-oxoethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135485417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).