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

C23H28N4O2 — CID 25007554

IUPAC(6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)N=C1N
InChIInChI=1S/C23H28N4O2/c1-23(14-21(29)26(2)22(24)25-23)19-8-5-11-27(15-19)20(28)13-16-9-10-17-6-3-4-7-18(17)12-16/h3-4,6-7,9-10,12,19H,5,8,11,13-15H2,1-2H3,(H2,24,25)/t19?,23-/m0/s1
InChIKeyZAFDJHTWWMUKFH-BVHINDKJSA-N
MW392.50 g/mol
LogP2.56
Rot. Bonds3

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

(6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one (PubChem CID 25007554) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one.

Molecular Properties

Compound Name(6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one
PubChem CID25007554
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one
SMILESCN1C(=O)C[C@@](C)(C2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)N=C1N
InChIInChI=1S/C23H28N4O2/c1-23(14-21(29)26(2)22(24)25-23)19-8-5-11-27(15-19)20(28)13-16-9-10-17-6-3-4-7-18(17)12-16/h3-4,6-7,9-10,12,19H,5,8,11,13-15H2,1-2H3,(H2,24,25)/t19?,23-/m0/s1
InChIKeyZAFDJHTWWMUKFH-BVHINDKJSA-N
XLogP2.56
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The IUPAC name of (6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one (CID 25007554) is (6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one.
What is the SMILES notation for (6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The canonical SMILES for (6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one is CN1C(=O)C[C@@](C)(C2CCCN(C(=O)Cc3ccc4ccccc4c3)C2)N=C1N.
What is the InChIKey of (6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The InChIKey is ZAFDJHTWWMUKFH-BVHINDKJSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-23(14-21(29)26(2)22(24)25-23)19-8-5-11-27(15-19)20(28)13-16-9-10-17-6-3-4-7-18(17)12-16/h3-4,6-7,9-10,12,19H,5,8,11,13-15H2,1-2H3,(H2,24,25)/t19?,23-/m0/s1.
What are the key properties of (6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one?
(6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one has a molecular weight of 392.50 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-amino-3,6-dimethyl-6-[1-(2-naphthalen-2-ylacetyl)piperidin-3-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 25007554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).