6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide

C15H11ClN6O — CID 137126576

IUPAC6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide
SMILES[H]/N=N/N=C(N)c1cc(-c2ccc(-c3ccco3)c(Cl)c2)ncn1
InChIInChI=1S/C15H11ClN6O/c16-11-6-9(3-4-10(11)14-2-1-5-23-14)12-7-13(20-8-19-12)15(17)21-22-18/h1-8H,(H3,17,18,21)
InChIKeyQRDMOHGSKQGDLC-UHFFFAOYSA-N
MW326.75 g/mol
LogP3.71
Rot. Bonds4

About 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide

6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide (PubChem CID 137126576) has the molecular formula C15H11ClN6O and a molecular weight of 326.75 g/mol. Its IUPAC name is 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide
PubChem CID137126576
Molecular FormulaC15H11ClN6O
Molecular Weight326.75 g/mol
Exact Mass326.07
IUPAC Name6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide
SMILES[H]/N=N/N=C(N)c1cc(-c2ccc(-c3ccco3)c(Cl)c2)ncn1
InChIInChI=1S/C15H11ClN6O/c16-11-6-9(3-4-10(11)14-2-1-5-23-14)12-7-13(20-8-19-12)15(17)21-22-18/h1-8H,(H3,17,18,21)
InChIKeyQRDMOHGSKQGDLC-UHFFFAOYSA-N
XLogP3.71
TPSA113.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-Chlorophenyl)-6-(furan-2-yl)pyrimidin-2-amine
CID 75359741
4-[2-[5-(3-Chlorophenyl)furan-2-yl]ethenyl]-6-(trifluoromethyl)pyrimidine
CID 69862743
4-Chloro-6-[2-[3-(2-furyl)phenyl]ethyl]pyrimidin-2-amine
CID 16730554
5-[3-(4-Chlorophenyl)-3-(furan-2-yl)prop-1-enyl]-6-methylpyrimidine-2,4-diamine
CID 56976794
6-[3-Chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboxylic acid
CID 71282695
4-[3-chloro-4-(furan-2-yl)phenyl]-6-(2H-tetrazol-5-yl)pyrimidine
CID 117677998
3-[6-[3-chloro-4-(furan-2-yl)phenyl]pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one
CID 136612981
6-(7-chloro-1-benzofuran-5-yl)-N'-diazenylpyrimidine-4-carboximidamide
CID 137148161
4-[2-[3-(Furan-2-yl)phenyl]ethyl]pyrimidin-2-amine
CID 141143894
N-benzyl-6-chloro-5-(furan-2-carboximidoyl)pyrimidin-4-amine
CID 141906266
2-(4-chlorophenyl)-N-[4-ethyl-5-(furan-2-yl)-2-methylcyclohexa-1,5-dien-1-yl]-6-methylpyrimidin-4-amine
CID 142127173
6-[3-Chloro-4-(furan-2-yl)phenyl]pyrimidine-4-carboximidamide
CID 144518916

Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide?
The IUPAC name of 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide (CID 137126576) is 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide.
What is the SMILES notation for 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide?
The canonical SMILES for 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide is [H]/N=N/N=C(N)c1cc(-c2ccc(-c3ccco3)c(Cl)c2)ncn1.
What is the InChIKey of 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide?
The InChIKey is QRDMOHGSKQGDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN6O/c16-11-6-9(3-4-10(11)14-2-1-5-23-14)12-7-13(20-8-19-12)15(17)21-22-18/h1-8H,(H3,17,18,21).
What are the key properties of 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide?
6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide has a molecular weight of 326.75 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-4-(furan-2-yl)phenyl]-N'-diazenylpyrimidine-4-carboximidamide is sourced from PubChem (CID 137126576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).