4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine

C19H20N4O — CID 10543695

IUPAC4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
SMILESCN1CCN(c2nc(-c3ccccc3)cc(-c3ccoc3)n2)CC1
InChIInChI=1S/C19H20N4O/c1-22-8-10-23(11-9-22)19-20-17(15-5-3-2-4-6-15)13-18(21-19)16-7-12-24-14-16/h2-7,12-14H,8-11H2,1H3
InChIKeyUQWHVDPVOKMRDD-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.16
Rot. Bonds3

About 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine

4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine (PubChem CID 10543695) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
PubChem CID10543695
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine
SMILESCN1CCN(c2nc(-c3ccccc3)cc(-c3ccoc3)n2)CC1
InChIInChI=1S/C19H20N4O/c1-22-8-10-23(11-9-22)19-20-17(15-5-3-2-4-6-15)13-18(21-19)16-7-12-24-14-16/h2-7,12-14H,8-11H2,1H3
InChIKeyUQWHVDPVOKMRDD-UHFFFAOYSA-N
XLogP3.16
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
The IUPAC name of 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine (CID 10543695) is 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine.
What is the SMILES notation for 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
The canonical SMILES for 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine is CN1CCN(c2nc(-c3ccccc3)cc(-c3ccoc3)n2)CC1.
What is the InChIKey of 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
The InChIKey is UQWHVDPVOKMRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-8-10-23(11-9-22)19-20-17(15-5-3-2-4-6-15)13-18(21-19)16-7-12-24-14-16/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine?
4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine has a molecular weight of 320.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine is sourced from PubChem (CID 10543695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).