N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine

C19H16N6O — CID 3133620

IUPACN-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIInChI=1S/C19H16N6O/c1-14-10-17(15-6-3-2-4-7-15)25(24-14)19-11-18(20-13-21-19)23-22-12-16-8-5-9-26-16/h2-13H,1H3,(H,20,21,23)
InChIKeyNERQMDXDVAZVNX-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.68
Rot. Bonds5

About N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine

N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 3133620) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID3133620
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
InChIInChI=1S/C19H16N6O/c1-14-10-17(15-6-3-2-4-7-15)25(24-14)19-11-18(20-13-21-19)23-22-12-16-8-5-9-26-16/h2-13H,1H3,(H,20,21,23)
InChIKeyNERQMDXDVAZVNX-UHFFFAOYSA-N
XLogP3.68
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine (CID 3133620) is N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is NERQMDXDVAZVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c1-14-10-17(15-6-3-2-4-7-15)25(24-14)19-11-18(20-13-21-19)23-22-12-16-8-5-9-26-16/h2-13H,1H3,(H,20,21,23).
What are the key properties of N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine?
N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 344.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 3133620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).