(6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

C17H28N4O2 — CID 59387721

IUPAC(6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CCCC3)C2)N=C1N
InChIInChI=1S/C17H28N4O2/c1-17(10-14(22)20(2)16(18)19-17)13-8-5-9-21(11-13)15(23)12-6-3-4-7-12/h12-13H,3-11H2,1-2H3,(H2,18,19)/t13?,17-/m0/s1
InChIKeyFOMIUJWNJKWPQN-RUINGEJQSA-N
MW320.44 g/mol
LogP1.35
Rot. Bonds2

About (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one

(6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 59387721) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID59387721
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CCCC3)C2)N=C1N
InChIInChI=1S/C17H28N4O2/c1-17(10-14(22)20(2)16(18)19-17)13-8-5-9-21(11-13)15(23)12-6-3-4-7-12/h12-13H,3-11H2,1-2H3,(H2,18,19)/t13?,17-/m0/s1
InChIKeyFOMIUJWNJKWPQN-RUINGEJQSA-N
XLogP1.35
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 118720052
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-1-pentanoylpiperidin-3-yl]methyl]imidazol-4-one
CID 118719670
(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 118720053
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3S)-1-pentanoylpiperidin-3-yl]methyl]imidazol-4-one
CID 118720051
3-[(1-Acetylpiperidin-4-yl)methyl]-2-amino-5-butyl-5-(cyclohexylmethyl)imidazol-4-one
CID 57844676
(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 11177921
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[(1-pentanoylpiperidin-3-yl)methyl]imidazol-4-one
CID 57843732
2-Amino-3-[2-[1-(2-cyclohexylacetyl)piperidin-4-yl]ethyl]-5-methyl-5-(2-methylpropyl)imidazol-4-one
CID 57843787
(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 57843869
(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 57844053
2-Amino-5,5-dibutyl-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]imidazol-4-one
CID 57844346
(5S)-2-amino-5-(2-cyclohexylethyl)-5-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]-3-methylimidazol-4-one
CID 57844417

Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 59387721) is (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(C(=O)C3CCCC3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is FOMIUJWNJKWPQN-RUINGEJQSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-17(10-14(22)20(2)16(18)19-17)13-8-5-9-21(11-13)15(23)12-6-3-4-7-12/h12-13H,3-11H2,1-2H3,(H2,18,19)/t13?,17-/m0/s1.
What are the key properties of (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
(6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 320.44 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-6-[1-(cyclopentanecarbonyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 59387721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).