(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone

C20H19N3O4 — CID 25064338

IUPAC(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3cncnc3)ccc2N)cc(OC)c1OC
InChIInChI=1S/C20H19N3O4/c1-25-17-7-13(8-18(26-2)20(17)27-3)19(24)15-6-12(4-5-16(15)21)14-9-22-11-23-10-14/h4-11H,21H2,1-3H3
InChIKeyHRGFRWPIWFPXPA-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.98
Rot. Bonds6

About (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone

(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 25064338) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID25064338
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(-c3cncnc3)ccc2N)cc(OC)c1OC
InChIInChI=1S/C20H19N3O4/c1-25-17-7-13(8-18(26-2)20(17)27-3)19(24)15-6-12(4-5-16(15)21)14-9-22-11-23-10-14/h4-11H,21H2,1-3H3
InChIKeyHRGFRWPIWFPXPA-UHFFFAOYSA-N
XLogP2.98
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-5-pyridin-4-ylphenyl)-(3,4-dimethoxy-5-methylphenyl)methanone
CID 89276944
(5-amino-1H-pyrazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 14674009
[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
CID 155560958
[2-pyridin-4-yl-5-(1H-pyrrol-2-yl)phenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 91140675
4-(1,3-thiazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)benzoic acid
CID 66987615
[4-(furan-2-yl)-1-pyrimidin-5-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171343056
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
[2-(3-amino-4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 141409884
[5-(furan-2-yl)-2-nitrophenyl]-(3,4,5-trimethoxyphenyl)methanone
CID 25064957
3-(3,4,5-trimethoxybenzoyl)pyridine-2-carboxylic acid
CID 139864316
[4-(furan-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl] trifluoromethanesulfonate
CID 87225986
N-[4-pyridin-2-yl-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25066423

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone (CID 25064338) is (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cc(-c3cncnc3)ccc2N)cc(OC)c1OC.
What is the InChIKey of (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is HRGFRWPIWFPXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-25-17-7-13(8-18(26-2)20(17)27-3)19(24)15-6-12(4-5-16(15)21)14-9-22-11-23-10-14/h4-11H,21H2,1-3H3.
What are the key properties of (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone?
(2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 365.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-pyrimidin-5-ylphenyl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 25064338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).