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

C18H20Cl2N4O2 — CID 97116664

IUPAC5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one
SMILESNC[C@H]1CCCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C18H20Cl2N4O2/c19-14-5-3-6-15(20)12(14)8-16-22-10-13(17(25)23-16)18(26)24-7-2-1-4-11(24)9-21/h3,5-6,10-11H,1-2,4,7-9,21H2,(H,22,23,25)/t11-/m1/s1
InChIKeyUISJHLGYXQPSMM-LLVKDONJSA-N
MW395.29 g/mol
LogP2.62
Rot. Bonds4

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

5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 97116664) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one
PubChem CID97116664
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC Name5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one
SMILESNC[C@H]1CCCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O
InChIInChI=1S/C18H20Cl2N4O2/c19-14-5-3-6-15(20)12(14)8-16-22-10-13(17(25)23-16)18(26)24-7-2-1-4-11(24)9-21/h3,5-6,10-11H,1-2,4,7-9,21H2,(H,22,23,25)/t11-/m1/s1
InChIKeyUISJHLGYXQPSMM-LLVKDONJSA-N
XLogP2.62
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one (CID 97116664) is 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one is NC[C@H]1CCCCN1C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[nH]c1=O.
What is the InChIKey of 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is UISJHLGYXQPSMM-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c19-14-5-3-6-15(20)12(14)8-16-22-10-13(17(25)23-16)18(26)24-7-2-1-4-11(24)9-21/h3,5-6,10-11H,1-2,4,7-9,21H2,(H,22,23,25)/t11-/m1/s1.
What are the key properties of 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one?
5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 395.29 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-2-[(2,6-dichlorophenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 97116664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).