6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione

C18H23N3O2 — CID 6941412

IUPAC6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(N3C[C@@H](C)C[C@H](C)C3)[nH]c2=O)cc1
InChIInChI=1S/C18H23N3O2/c1-12-4-6-15(7-5-12)21-17(22)9-16(19-18(21)23)20-10-13(2)8-14(3)11-20/h4-7,9,13-14H,8,10-11H2,1-3H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyDKBBPXLGDDSLNA-KBPBESRZSA-N
MW313.40 g/mol
LogP2.32
Rot. Bonds2

About 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione

6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 6941412) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID6941412
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(=O)cc(N3C[C@@H](C)C[C@H](C)C3)[nH]c2=O)cc1
InChIInChI=1S/C18H23N3O2/c1-12-4-6-15(7-5-12)21-17(22)9-16(19-18(21)23)20-10-13(2)8-14(3)11-20/h4-7,9,13-14H,8,10-11H2,1-3H3,(H,19,23)/t13-,14-/m0/s1
InChIKeyDKBBPXLGDDSLNA-KBPBESRZSA-N
XLogP2.32
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione (CID 6941412) is 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione is Cc1ccc(-n2c(=O)cc(N3C[C@@H](C)C[C@H](C)C3)[nH]c2=O)cc1.
What is the InChIKey of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is DKBBPXLGDDSLNA-KBPBESRZSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-4-6-15(7-5-12)21-17(22)9-16(19-18(21)23)20-10-13(2)8-14(3)11-20/h4-7,9,13-14H,8,10-11H2,1-3H3,(H,19,23)/t13-,14-/m0/s1.
What are the key properties of 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione?
6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 313.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-(4-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6941412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).