2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine

C13H16N4O — CID 3233499

IUPAC2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ccnc(-c3ccoc3)n2)CC1
InChIInChI=1S/C13H16N4O/c1-16-5-7-17(8-6-16)12-2-4-14-13(15-12)11-3-9-18-10-11/h2-4,9-10H,5-8H2,1H3
InChIKeyGQLQEIRKPRDBPG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.49
Rot. Bonds2

About 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine

2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 3233499) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID3233499
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ccnc(-c3ccoc3)n2)CC1
InChIInChI=1S/C13H16N4O/c1-16-5-7-17(8-6-16)12-2-4-14-13(15-12)11-3-9-18-10-11/h2-4,9-10H,5-8H2,1H3
InChIKeyGQLQEIRKPRDBPG-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 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine (CID 3233499) is 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2ccnc(-c3ccoc3)n2)CC1.
What is the InChIKey of 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is GQLQEIRKPRDBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-5-7-17(8-6-16)12-2-4-14-13(15-12)11-3-9-18-10-11/h2-4,9-10H,5-8H2,1H3.
What are the key properties of 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine?
2-(furan-3-yl)-4-(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 2-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3233499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).