5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one

C11H16ClN3O — CID 164980345

IUPAC5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1C[C@@H](C)CN(c2ncc(Cl)c(=O)[nH]2)C1
InChIInChI=1S/C11H16ClN3O/c1-7-3-8(2)6-15(5-7)11-13-4-9(12)10(16)14-11/h4,7-8H,3,5-6H2,1-2H3,(H,13,14,16)/t7-,8?/m1/s1
InChIKeyFJUMXKTZIZWYOT-GVHYBUMESA-N
MW241.72 g/mol
LogP1.91
Rot. Bonds1

About 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one

5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 164980345) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID164980345
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
SMILESCC1C[C@@H](C)CN(c2ncc(Cl)c(=O)[nH]2)C1
InChIInChI=1S/C11H16ClN3O/c1-7-3-8(2)6-15(5-7)11-13-4-9(12)10(16)14-11/h4,7-8H,3,5-6H2,1-2H3,(H,13,14,16)/t7-,8?/m1/s1
InChIKeyFJUMXKTZIZWYOT-GVHYBUMESA-N
XLogP1.91
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 146172003
5-chloro-2-(4,4-difluoro-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 146172005
5-chloro-2-[(3R)-4,4-difluoro-3-methylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 146172007
5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
CID 156726848
5-chloro-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 135122360
5-chloro-2-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135122361
1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 135122569
2-[(3R)-3-amino-3-methylpiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 141111982
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 166901171
2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 166901181
5-chloro-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731873
5-chloro-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805330

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one (CID 164980345) is 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one is CC1C[C@@H](C)CN(c2ncc(Cl)c(=O)[nH]2)C1.
What is the InChIKey of 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is FJUMXKTZIZWYOT-GVHYBUMESA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-3-8(2)6-15(5-7)11-13-4-9(12)10(16)14-11/h4,7-8H,3,5-6H2,1-2H3,(H,13,14,16)/t7-,8?/m1/s1.
What are the key properties of 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one?
5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 241.72 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(5R)-3,5-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 164980345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).