4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one

C18H19N5O2 — CID 135882171

IUPAC4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCN(Cc3cnc(-c4ccco4)nc3)CC2)nc[nH]1
InChIInChI=1S/C18H19N5O2/c24-17-8-15(21-12-22-17)14-3-5-23(6-4-14)11-13-9-19-18(20-10-13)16-2-1-7-25-16/h1-2,7-10,12,14H,3-6,11H2,(H,21,22,24)
InChIKeyGDPNQLKETRMAHU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.20
Rot. Bonds4

About 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one

4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 135882171) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID135882171
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCN(Cc3cnc(-c4ccco4)nc3)CC2)nc[nH]1
InChIInChI=1S/C18H19N5O2/c24-17-8-15(21-12-22-17)14-3-5-23(6-4-14)11-13-9-19-18(20-10-13)16-2-1-7-25-16/h1-2,7-10,12,14H,3-6,11H2,(H,21,22,24)
InChIKeyGDPNQLKETRMAHU-UHFFFAOYSA-N
XLogP2.20
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 135882171) is 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one is O=c1cc(C2CCN(Cc3cnc(-c4ccco4)nc3)CC2)nc[nH]1.
What is the InChIKey of 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is GDPNQLKETRMAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17-8-15(21-12-22-17)14-3-5-23(6-4-14)11-13-9-19-18(20-10-13)16-2-1-7-25-16/h1-2,7-10,12,14H,3-6,11H2,(H,21,22,24).
What are the key properties of 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one?
4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 337.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135882171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).