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

C13H27N3 — CID 142973101

IUPACethane;2-piperidin-1-yl-1,4-dihydropyrimidine
SMILESC1=CNC(N2CCCCC2)=NC1.CC.CC
InChIInChI=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
InChIKeyXDAKSWIPPSCNGV-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.00
Rot. Bonds

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 Nameethane;2-piperidin-1-yl-1,4-dihydropyrimidine
PubChem CID142973101
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Nameethane;2-piperidin-1-yl-1,4-dihydropyrimidine
SMILESC1=CNC(N2CCCCC2)=NC1.CC.CC
InChIInChI=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
InChIKeyXDAKSWIPPSCNGV-UHFFFAOYSA-N
XLogP3.00
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).