1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione

C17H23N5O3 — CID 125015096

About 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione

1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione (PubChem CID 125015096) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione
• PubChem CID: 125015096
• Molecular Formula: C17H23N5O3
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.18
• IUPAC Name: 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione
• SMILES: Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1
• InChI: InChI=1S/C17H23N5O3/c1-11-9-18-19-13(11)7-12-5-4-6-22(10-12)16(24)14-8-15(23)21(3)17(25)20(14)2/h8-9,12H,4-7,10H2,1-3H3,(H,18,19)/t12-/m0/s1
• InChIKey: WRAAUEGOODBICI-LBPRGKRZSA-N
• XLogP: 0.21
• TPSA: 92.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione?

The IUPAC name of 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione (CID 125015096) is 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione?

The canonical SMILES for 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione is Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1.

What is the InChIKey of 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione?

The InChIKey is WRAAUEGOODBICI-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-9-18-19-13(11)7-12-5-4-6-22(10-12)16(24)14-8-15(23)21(3)17(25)20(14)2/h8-9,12H,4-7,10H2,1-3H3,(H,18,19)/t12-/m0/s1.

What are the key properties of 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione?

1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione is sourced from PubChem (CID 125015096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).