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

C13H16N4O — CID 3235297

IUPAC5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncncc2-c2ccoc2)CC1
InChIInChI=1S/C13H16N4O/c1-16-3-5-17(6-4-16)13-12(8-14-10-15-13)11-2-7-18-9-11/h2,7-10H,3-6H2,1H3
InChIKeyBEZLZANCGQODDU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.49
Rot. Bonds2

About 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine

5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 3235297) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID3235297
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ncncc2-c2ccoc2)CC1
InChIInChI=1S/C13H16N4O/c1-16-3-5-17(6-4-16)13-12(8-14-10-15-13)11-2-7-18-9-11/h2,7-10H,3-6H2,1H3
InChIKeyBEZLZANCGQODDU-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 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine (CID 3235297) is 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2ncncc2-c2ccoc2)CC1.
What is the InChIKey of 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is BEZLZANCGQODDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-3-5-17(6-4-16)13-12(8-14-10-15-13)11-2-7-18-9-11/h2,7-10H,3-6H2,1H3.
What are the key properties of 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine?
5-(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 5-(furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 3235297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).