1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

C15H19N5O2 — CID 53499589

IUPAC1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESO=C(NCc1ccoc1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H19N5O2/c21-15(18-9-12-4-8-22-11-12)19-13-3-1-7-20(10-13)14-16-5-2-6-17-14/h2,4-6,8,11,13H,1,3,7,9-10H2,(H2,18,19,21)
InChIKeyFQAUCLFNYGAYIR-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.54
Rot. Bonds4

About 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (PubChem CID 53499589) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
PubChem CID53499589
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESO=C(NCc1ccoc1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H19N5O2/c21-15(18-9-12-4-8-22-11-12)19-13-3-1-7-20(10-13)14-16-5-2-6-17-14/h2,4-6,8,11,13H,1,3,7,9-10H2,(H2,18,19,21)
InChIKeyFQAUCLFNYGAYIR-UHFFFAOYSA-N
XLogP1.54
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The IUPAC name of 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (CID 53499589) is 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is O=C(NCc1ccoc1)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The InChIKey is FQAUCLFNYGAYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(18-9-12-4-8-22-11-12)19-13-3-1-7-20(10-13)14-16-5-2-6-17-14/h2,4-6,8,11,13H,1,3,7,9-10H2,(H2,18,19,21).
What are the key properties of 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea has a molecular weight of 301.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is sourced from PubChem (CID 53499589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).