(6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one

C11H20N4O — CID 59387877

IUPAC(6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCNC2)N=C1N
InChIInChI=1S/C11H20N4O/c1-11(8-4-3-5-13-7-8)6-9(16)15(2)10(12)14-11/h8,13H,3-7H2,1-2H3,(H2,12,14)/t8?,11-/m0/s1
InChIKeyCGKNJHOENWDBLR-LYNSQETBSA-N
MW224.31 g/mol
LogP-0.08
Rot. Bonds1

About (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one

(6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one (PubChem CID 59387877) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one
PubChem CID59387877
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCNC2)N=C1N
InChIInChI=1S/C11H20N4O/c1-11(8-4-3-5-13-7-8)6-9(16)15(2)10(12)14-11/h8,13H,3-7H2,1-2H3,(H2,12,14)/t8?,11-/m0/s1
InChIKeyCGKNJHOENWDBLR-LYNSQETBSA-N
XLogP-0.08
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(3S)-3-amino-N-[2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-N-methyl-4-piperidin-4-ylbutanamide
CID 53322886
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one
CID 118719666
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-piperidin-3-yl]methyl]imidazol-4-one
CID 118719665
2-Amino-5-butyl-3-methyl-5-piperidin-3-ylimidazol-4-one
CID 57843670
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-(piperidin-3-ylmethyl)imidazol-4-one
CID 57843944
(6S)-2-amino-3,6-dimethyl-6-(1-methylsulfonylpiperidin-3-yl)-5H-pyrimidin-4-one
CID 59386950
(6S)-6-(1-acetylpiperidin-3-yl)-2-amino-3,6-dimethyl-5H-pyrimidin-4-one
CID 59386992
(6S)-2-amino-6-[1-(cyclohexanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387064
(6S)-2-amino-6-[1-(2-cyclopropylacetyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387218
3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 59387592
(6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387721
(6S)-2-amino-6-(1-cyclohexylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 59387737

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one (CID 59387877) is (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCNC2)N=C1N.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one?
The InChIKey is CGKNJHOENWDBLR-LYNSQETBSA-N. The full InChI is InChI=1S/C11H20N4O/c1-11(8-4-3-5-13-7-8)6-9(16)15(2)10(12)14-11/h8,13H,3-7H2,1-2H3,(H2,12,14)/t8?,11-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one has a molecular weight of 224.31 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one is sourced from PubChem (CID 59387877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).