2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one

C16H15Cl2N3O3 — CID 70738096

IUPAC2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H15Cl2N3O3/c17-12-2-1-3-13(18)10(12)8-14-19-9-11(15(22)20-14)16(23)21-4-6-24-7-5-21/h1-3,9H,4-8H2,(H,19,20,22)
InChIKeyPVTTUHIOFQMQBV-UHFFFAOYSA-N
MW368.22 g/mol
LogP2.14
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one

2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one (PubChem CID 70738096) has the molecular formula C16H15Cl2N3O3 and a molecular weight of 368.22 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
PubChem CID70738096
Molecular FormulaC16H15Cl2N3O3
Molecular Weight368.22 g/mol
Exact Mass367.05
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCOCC1
InChIInChI=1S/C16H15Cl2N3O3/c17-12-2-1-3-13(18)10(12)8-14-19-9-11(15(22)20-14)16(23)21-4-6-24-7-5-21/h1-3,9H,4-8H2,(H,19,20,22)
InChIKeyPVTTUHIOFQMQBV-UHFFFAOYSA-N
XLogP2.14
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one (CID 70738096) is 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCOCC1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is PVTTUHIOFQMQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3/c17-12-2-1-3-13(18)10(12)8-14-19-9-11(15(22)20-14)16(23)21-4-6-24-7-5-21/h1-3,9H,4-8H2,(H,19,20,22).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one?
2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 368.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70738096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).