2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

C21H18Cl2N4O3 — CID 59793951

IUPAC2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(C(=O)c3ccc(Cl)c(Cl)c3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H18Cl2N4O3/c1-26-19(28)11-17(13-4-6-24-7-5-13)25-21(26)27-8-9-30-18(12-27)20(29)14-2-3-15(22)16(23)10-14/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyVJIZGNVVEJUDCM-UHFFFAOYSA-N
MW445.31 g/mol
LogP3.24
Rot. Bonds4

About 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one

2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (PubChem CID 59793951) has the molecular formula C21H18Cl2N4O3 and a molecular weight of 445.31 g/mol. Its IUPAC name is 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
PubChem CID59793951
Molecular FormulaC21H18Cl2N4O3
Molecular Weight445.31 g/mol
Exact Mass444.08
IUPAC Name2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
SMILESCn1c(N2CCOC(C(=O)c3ccc(Cl)c(Cl)c3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C21H18Cl2N4O3/c1-26-19(28)11-17(13-4-6-24-7-5-13)25-21(26)27-8-9-30-18(12-27)20(29)14-2-3-15(22)16(23)10-14/h2-7,10-11,18H,8-9,12H2,1H3
InChIKeyVJIZGNVVEJUDCM-UHFFFAOYSA-N
XLogP3.24
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The IUPAC name of 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one (CID 59793951) is 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one.
What is the SMILES notation for 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The canonical SMILES for 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is Cn1c(N2CCOC(C(=O)c3ccc(Cl)c(Cl)c3)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
The InChIKey is VJIZGNVVEJUDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3/c1-26-19(28)11-17(13-4-6-24-7-5-13)25-21(26)27-8-9-30-18(12-27)20(29)14-2-3-15(22)16(23)10-14/h2-7,10-11,18H,8-9,12H2,1H3.
What are the key properties of 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one?
2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one has a molecular weight of 445.31 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dichlorobenzoyl)morpholin-4-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one is sourced from PubChem (CID 59793951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).