2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine

C14H18N4O — CID 783224

IUPAC2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1ccc(CN2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C14H18N4O/c1-12-3-4-13(19-12)11-17-7-9-18(10-8-17)14-15-5-2-6-16-14/h2-6H,7-11H2,1H3
InChIKeyKDTTUGIKYZEAGO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.70
Rot. Bonds3

About 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 783224) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID783224
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1ccc(CN2CCN(c3ncccn3)CC2)o1
InChIInChI=1S/C14H18N4O/c1-12-3-4-13(19-12)11-17-7-9-18(10-8-17)14-15-5-2-6-16-14/h2-6H,7-11H2,1H3
InChIKeyKDTTUGIKYZEAGO-UHFFFAOYSA-N
XLogP1.70
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine (CID 783224) is 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine is Cc1ccc(CN2CCN(c3ncccn3)CC2)o1.
What is the InChIKey of 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is KDTTUGIKYZEAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-12-3-4-13(19-12)11-17-7-9-18(10-8-17)14-15-5-2-6-16-14/h2-6H,7-11H2,1H3.
What are the key properties of 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 258.32 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methylfuran-2-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 783224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).