N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine

C17H23N3O2 — CID 56723519

IUPACN-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCCN(Cc1cnc(-c2ccco2)nc1)CC1CCOCC1
InChIInChI=1S/C17H23N3O2/c1-2-20(12-14-5-8-21-9-6-14)13-15-10-18-17(19-11-15)16-4-3-7-22-16/h3-4,7,10-11,14H,2,5-6,8-9,12-13H2,1H3
InChIKeyHEPMZENIXJCTCO-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.99
Rot. Bonds6

About N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine

N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 56723519) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine
PubChem CID56723519
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCCN(Cc1cnc(-c2ccco2)nc1)CC1CCOCC1
InChIInChI=1S/C17H23N3O2/c1-2-20(12-14-5-8-21-9-6-14)13-15-10-18-17(19-11-15)16-4-3-7-22-16/h3-4,7,10-11,14H,2,5-6,8-9,12-13H2,1H3
InChIKeyHEPMZENIXJCTCO-UHFFFAOYSA-N
XLogP2.99
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine (CID 56723519) is N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine is CCN(Cc1cnc(-c2ccco2)nc1)CC1CCOCC1.
What is the InChIKey of N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is HEPMZENIXJCTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-20(12-14-5-8-21-9-6-14)13-15-10-18-17(19-11-15)16-4-3-7-22-16/h3-4,7,10-11,14H,2,5-6,8-9,12-13H2,1H3.
What are the key properties of N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine?
N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 301.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 56723519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).