6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide

C15H11ClN4O — CID 144518916

IUPAC6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc(-c3ccco3)c(Cl)c2)ncn1
InChIInChI=1S/C15H11ClN4O/c16-11-6-9(3-4-10(11)14-2-1-5-21-14)12-7-13(15(17)18)20-8-19-12/h1-8H,(H3,17,18)
InChIKeyGUUSPLCZKCFKDZ-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.34
Rot. Bonds3

About 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide

6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide (PubChem CID 144518916) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide
PubChem CID144518916
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccc(-c3ccco3)c(Cl)c2)ncn1
InChIInChI=1S/C15H11ClN4O/c16-11-6-9(3-4-10(11)14-2-1-5-21-14)12-7-13(15(17)18)20-8-19-12/h1-8H,(H3,17,18)
InChIKeyGUUSPLCZKCFKDZ-UHFFFAOYSA-N
XLogP3.34
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide?
The IUPAC name of 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide (CID 144518916) is 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide.
What is the SMILES notation for 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide?
The canonical SMILES for 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(-c2ccc(-c3ccco3)c(Cl)c2)ncn1.
What is the InChIKey of 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide?
The InChIKey is GUUSPLCZKCFKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-6-9(3-4-10(11)14-2-1-5-21-14)12-7-13(15(17)18)20-8-19-12/h1-8H,(H3,17,18).
What are the key properties of 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide?
6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide has a molecular weight of 298.73 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide is sourced from PubChem (CID 144518916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).