(2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H16N4O2 — CID 887215

IUPAC(2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4O2/c1-11-12(3-10-20-11)13(19)17-6-8-18(9-7-17)14-15-4-2-5-16-14/h2-5,10H,6-9H2,1H3
InChIKeyTVQPMZBUNIYYON-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.34
Rot. Bonds2

About (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 887215) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID887215
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1occc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4O2/c1-11-12(3-10-20-11)13(19)17-6-8-18(9-7-17)14-15-4-2-5-16-14/h2-5,10H,6-9H2,1H3
InChIKeyTVQPMZBUNIYYON-UHFFFAOYSA-N
XLogP1.34
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 887215) is (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1occc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is TVQPMZBUNIYYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11-12(3-10-20-11)13(19)17-6-8-18(9-7-17)14-15-4-2-5-16-14/h2-5,10H,6-9H2,1H3.
What are the key properties of (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 272.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 887215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).