4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine

C13H15ClN4O — CID 10107625

IUPAC4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(Cl)cc(-c3ccoc3)n2)CC1
InChIInChI=1S/C13H15ClN4O/c1-17-3-5-18(6-4-17)13-15-11(8-12(14)16-13)10-2-7-19-9-10/h2,7-9H,3-6H2,1H3
InChIKeyORJQSPXPOZMZHC-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.14
Rot. Bonds2

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

4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 10107625) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID10107625
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nc(Cl)cc(-c3ccoc3)n2)CC1
InChIInChI=1S/C13H15ClN4O/c1-17-3-5-18(6-4-17)13-15-11(8-12(14)16-13)10-2-7-19-9-10/h2,7-9H,3-6H2,1H3
InChIKeyORJQSPXPOZMZHC-UHFFFAOYSA-N
XLogP2.14
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine (CID 10107625) is 4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nc(Cl)cc(-c3ccoc3)n2)CC1.
What is the InChIKey of 4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is ORJQSPXPOZMZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-17-3-5-18(6-4-17)13-15-11(8-12(14)16-13)10-2-7-19-9-10/h2,7-9H,3-6H2,1H3.
What are the key properties of 4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine?
4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 278.74 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(furan-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 10107625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).