4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

C13H16N4O — CID 10444523

IUPAC4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(-c3ccco3)n2)CC1
InChIInChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13-14-5-4-11(15-13)12-3-2-10-18-12/h2-5,10H,6-9H2,1H3
InChIKeyAFRJNNKMRAFXSE-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.49
Rot. Bonds2

About 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 10444523) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID10444523
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(-c3ccco3)n2)CC1
InChIInChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13-14-5-4-11(15-13)12-3-2-10-18-12/h2-5,10H,6-9H2,1H3
InChIKeyAFRJNNKMRAFXSE-UHFFFAOYSA-N
XLogP1.49
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 10444523) is 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nccc(-c3ccco3)n2)CC1.
What is the InChIKey of 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is AFRJNNKMRAFXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-6-8-17(9-7-16)13-14-5-4-11(15-13)12-3-2-10-18-12/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 244.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 10444523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).