N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine

C19H16N4O — CID 71898402

IUPACN-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine
SMILESc1ccc(C2CC(=NNc3ncccn3)c3ccccc3O2)cc1
InChIInChI=1S/C19H16N4O/c1-2-7-14(8-3-1)18-13-16(15-9-4-5-10-17(15)24-18)22-23-19-20-11-6-12-21-19/h1-12,18H,13H2,(H,20,21,23)
InChIKeyRAWBLLUJPSXNBA-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.82
Rot. Bonds3

About N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine

N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine (PubChem CID 71898402) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine
PubChem CID71898402
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine
SMILESc1ccc(C2CC(=NNc3ncccn3)c3ccccc3O2)cc1
InChIInChI=1S/C19H16N4O/c1-2-7-14(8-3-1)18-13-16(15-9-4-5-10-17(15)24-18)22-23-19-20-11-6-12-21-19/h1-12,18H,13H2,(H,20,21,23)
InChIKeyRAWBLLUJPSXNBA-UHFFFAOYSA-N
XLogP3.82
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine?
The IUPAC name of N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine (CID 71898402) is N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine.
What is the SMILES notation for N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine?
The canonical SMILES for N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine is c1ccc(C2CC(=NNc3ncccn3)c3ccccc3O2)cc1.
What is the InChIKey of N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine?
The InChIKey is RAWBLLUJPSXNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-7-14(8-3-1)18-13-16(15-9-4-5-10-17(15)24-18)22-23-19-20-11-6-12-21-19/h1-12,18H,13H2,(H,20,21,23).
What are the key properties of N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine?
N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine has a molecular weight of 316.36 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]pyrimidin-2-amine is sourced from PubChem (CID 71898402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).