Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine

C₁₃H₂₇N₃ — CID 142973101

About Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine

Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine (PubChem CID 142973101) has the molecular formula C₁₃H₂₇N₃ and a molecular weight of 225.38 g/mol. Its IUPAC name is ethane;2-piperidin-1-yl-1,4-dihydropyrimidine.

Molecular Properties

• Compound Name: Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine
• PubChem CID: 142973101
• Molecular Formula: C₁₃H₂₇N₃
• Molecular Weight: 225.38 g/mol
• Exact Mass: 225.22
• IUPAC Name: ethane;2-piperidin-1-yl-1,4-dihydropyrimidine
• SMILES: C1=CNC(N2CCCCC2)=NC1.CC.CC
• InChI: InChI=1S/C9H15N3.2C2H6/c1-2-7-12(8-3-1)9-10-5-4-6-11-9;2*1-2/h4-5H,1-3,6-8H2,(H,10,11);2*1-2H3
• InChIKey: XDAKSWIPPSCNGV-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.38
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine?

The IUPAC name of Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine (CID 142973101) is ethane;2-piperidin-1-yl-1,4-dihydropyrimidine.

What is the SMILES notation for Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine?

The canonical SMILES for Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine is C1=CNC(N2CCCCC2)=NC1.CC.CC.

What is the InChIKey of Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine?

The InChIKey is XDAKSWIPPSCNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2C2H6/c1-2-7-12(8-3-1)9-10-5-4-6-11-9;2*1-2/h4-5H,1-3,6-8H2,(H,10,11);2*1-2H3.

What are the key properties of Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine?

Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine has a molecular weight of 225.38 g/mol, XLogP of 3.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 142973101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142973101 — identifiers, structure, computed properties (public domain)

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