1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one

C22H20N4O2 — CID 134805271

IUPAC1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(Cc2ccccc2)c2ccc(NCCOc3ccccc3)nc12
InChIInChI=1S/C22H20N4O2/c27-22-21-19(26(16-24-22)15-17-7-3-1-4-8-17)11-12-20(25-21)23-13-14-28-18-9-5-2-6-10-18/h1-12,16H,13-15H2,(H,23,25)
InChIKeyUBFNORDXACPUTG-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.33
Rot. Bonds7

About 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one

1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134805271) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134805271
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1ncn(Cc2ccccc2)c2ccc(NCCOc3ccccc3)nc12
InChIInChI=1S/C22H20N4O2/c27-22-21-19(26(16-24-22)15-17-7-3-1-4-8-17)11-12-20(25-21)23-13-14-28-18-9-5-2-6-10-18/h1-12,16H,13-15H2,(H,23,25)
InChIKeyUBFNORDXACPUTG-UHFFFAOYSA-N
XLogP3.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-(2-phenoxyethyl)-2-N-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117086459
N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
6-chloro-N-(2-phenoxyethyl)pyrazin-2-amine
CID 11630185
N-(2-phenoxyethyl)-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 46942740
3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one
CID 134808694
4-N-(2-phenoxyethyl)-2-N-phenylpyrimidine-2,4-diamine
CID 117083720
5-amino-1-benzylpyrido[4,3-d]pyrimidin-4-one
CID 13258439
2-(1-methylindol-5-yl)-N-(2-phenoxyethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117090278
6-(3-phenoxypropylamino)pyridine-2-carboxylic acid
CID 62380614
6-ethyl-2-methyl-N-(2-phenoxyethyl)pyrimidin-4-amine
CID 65417794
N-(2-phenoxyethyl)-2-(3-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 46943779
6-(2-phenoxyethylamino)-N-phenylpyridazine-3-carboxamide
CID 133313334

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one (CID 134805271) is 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one is O=c1ncn(Cc2ccccc2)c2ccc(NCCOc3ccccc3)nc12.
What is the InChIKey of 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is UBFNORDXACPUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c27-22-21-19(26(16-24-22)15-17-7-3-1-4-8-17)11-12-20(25-21)23-13-14-28-18-9-5-2-6-10-18/h1-12,16H,13-15H2,(H,23,25).
What are the key properties of 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one?
1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 372.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134805271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).