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

C16H16Cl2N4O2 — CID 72918311

IUPAC2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C16H16Cl2N4O2/c17-12-2-1-3-13(18)10(12)8-14-20-9-11(15(23)21-14)16(24)22-6-4-19-5-7-22/h1-3,9,19H,4-8H2,(H,20,21,23)
InChIKeyWKQHDEJSOPGVKX-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.71
Rot. Bonds3

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

2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (PubChem CID 72918311) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
PubChem CID72918311
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
SMILESO=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCNCC1
InChIInChI=1S/C16H16Cl2N4O2/c17-12-2-1-3-13(18)10(12)8-14-20-9-11(15(23)21-14)16(24)22-6-4-19-5-7-22/h1-3,9,19H,4-8H2,(H,20,21,23)
InChIKeyWKQHDEJSOPGVKX-UHFFFAOYSA-N
XLogP1.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one (CID 72918311) is 2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is O=C(c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O)N1CCNCC1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
The InChIKey is WKQHDEJSOPGVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c17-12-2-1-3-13(18)10(12)8-14-20-9-11(15(23)21-14)16(24)22-6-4-19-5-7-22/h1-3,9,19H,4-8H2,(H,20,21,23).
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one?
2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one has a molecular weight of 367.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 72918311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).