N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine

C19H17N3O — CID 108774219

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NC3CCOc4ccccc43)ncn2)cc1
InChIInChI=1S/C19H17N3O/c1-2-6-14(7-3-1)17-12-19(21-13-20-17)22-16-10-11-23-18-9-5-4-8-15(16)18/h1-9,12-13,16H,10-11H2,(H,20,21,22)
InChIKeyWQZLQDBRVHELBM-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.08
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine

N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine (PubChem CID 108774219) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine
PubChem CID108774219
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine
SMILESc1ccc(-c2cc(NC3CCOc4ccccc43)ncn2)cc1
InChIInChI=1S/C19H17N3O/c1-2-6-14(7-3-1)17-12-19(21-13-20-17)22-16-10-11-23-18-9-5-4-8-15(16)18/h1-9,12-13,16H,10-11H2,(H,20,21,22)
InChIKeyWQZLQDBRVHELBM-UHFFFAOYSA-N
XLogP4.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine (CID 108774219) is N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine is c1ccc(-c2cc(NC3CCOc4ccccc43)ncn2)cc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is WQZLQDBRVHELBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-2-6-14(7-3-1)17-12-19(21-13-20-17)22-16-10-11-23-18-9-5-4-8-15(16)18/h1-9,12-13,16H,10-11H2,(H,20,21,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 108774219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).