4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid

C17H23N5O3 — CID 146134528

About 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid

4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid (PubChem CID 146134528) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid
• PubChem CID: 146134528
• Molecular Formula: C17H23N5O3
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.18
• IUPAC Name: 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid
• SMILES: Cc1nc(CN2CCC(CNc3ncncc3C(=O)O)CC2)oc1C
• InChI: InChI=1S/C17H23N5O3/c1-11-12(2)25-15(21-11)9-22-5-3-13(4-6-22)7-19-16-14(17(23)24)8-18-10-20-16/h8,10,13H,3-7,9H2,1-2H3,(H,23,24)(H,18,19,20)
• InChIKey: ODAMFSUGYOQGMD-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid?

The IUPAC name of 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid (CID 146134528) is 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid?

The canonical SMILES for 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid is Cc1nc(CN2CCC(CNc3ncncc3C(=O)O)CC2)oc1C.

What is the InChIKey of 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid?

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

What are the key properties of 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid?

4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methylamino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 146134528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).