(6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one

C16H23N5O — CID 59387163

IUPAC(6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(c3ccccn3)C2)N=C1N
InChIInChI=1S/C16H23N5O/c1-16(10-14(22)20(2)15(17)19-16)12-6-5-9-21(11-12)13-7-3-4-8-18-13/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,17,19)/t12?,16-/m0/s1
InChIKeyDVEVGEFAYKATEX-INSVYWFGSA-N
MW301.39 g/mol
LogP1.23
Rot. Bonds2

About (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one

(6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one (PubChem CID 59387163) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one
PubChem CID59387163
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(c3ccccn3)C2)N=C1N
InChIInChI=1S/C16H23N5O/c1-16(10-14(22)20(2)15(17)19-16)12-6-5-9-21(11-12)13-7-3-4-8-18-13/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,17,19)/t12?,16-/m0/s1
InChIKeyDVEVGEFAYKATEX-INSVYWFGSA-N
XLogP1.23
TPSA74.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one with MolForge

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Related Compounds

(6S)-2-amino-6-[1-(3-hydroxyphenyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 89248201
(6S)-2-amino-6-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 59388135
3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-(3-chloro-4-iodophenyl)piperidine-1-carboxamide
CID 67577124
2-(3-methoxypiperidin-1-yl)pyridine
CID 90697090
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 92606124
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
4-amino-2-[(3R)-1-pyridin-2-ylpiperidin-3-yl]isoindole-1,3-dione
CID 178083138
2-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-3-carboxamide
CID 124573399
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]-2-thiophen-3-ylacetamide
CID 124573434

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one (CID 59387163) is (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(c3ccccn3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one?
The InChIKey is DVEVGEFAYKATEX-INSVYWFGSA-N. The full InChI is InChI=1S/C16H23N5O/c1-16(10-14(22)20(2)15(17)19-16)12-6-5-9-21(11-12)13-7-3-4-8-18-13/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,17,19)/t12?,16-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one has a molecular weight of 301.39 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-(1-pyridin-2-ylpiperidin-3-yl)-5H-pyrimidin-4-one is sourced from PubChem (CID 59387163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).