oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

C16H21N5O2 — CID 146343666

About oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 146343666) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

• Compound Name: oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
• PubChem CID: 146343666
• Molecular Formula: C16H21N5O2
• Molecular Weight: 315.38 g/mol
• Exact Mass: 315.17
• IUPAC Name: oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
• SMILES: O=C(c1c[nH]c2ncnc(NC3CCCNC3)c12)C1CCOC1
• InChI: InChI=1S/C16H21N5O2/c22-14(10-3-5-23-8-10)12-7-18-15-13(12)16(20-9-19-15)21-11-2-1-4-17-6-11/h7,9-11,17H,1-6,8H2,(H2,18,19,20,21)
• InChIKey: HWXVXUUNGUVUMI-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 91.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.38
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?

The IUPAC name of oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (CID 146343666) is oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

What is the SMILES notation for oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?

The canonical SMILES for oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is O=C(c1c[nH]c2ncnc(NC3CCCNC3)c12)C1CCOC1.

What is the InChIKey of oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?

The InChIKey is HWXVXUUNGUVUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-14(10-3-5-23-8-10)12-7-18-15-13(12)16(20-9-19-15)21-11-2-1-4-17-6-11/h7,9-11,17H,1-6,8H2,(H2,18,19,20,21).

What are the key properties of oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?

oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 315.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for oxolan-3-yl-[4-(piperidin-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 146343666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).