1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone

C16H18N4O2 — CID 69269067

IUPAC1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone
SMILESNc1ncnc2c1CCN(C(=O)COCc1ccccc1)C2
InChIInChI=1S/C16H18N4O2/c17-16-13-6-7-20(8-14(13)18-11-19-16)15(21)10-22-9-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,17,18,19)
InChIKeyAPNQLQABMSRAIM-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.16
Rot. Bonds4

About 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone

1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone (PubChem CID 69269067) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone
PubChem CID69269067
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone
SMILESNc1ncnc2c1CCN(C(=O)COCc1ccccc1)C2
InChIInChI=1S/C16H18N4O2/c17-16-13-6-7-20(8-14(13)18-11-19-16)15(21)10-22-9-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,17,18,19)
InChIKeyAPNQLQABMSRAIM-UHFFFAOYSA-N
XLogP1.16
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2,2-diphenylethanone
CID 69269436
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
CID 69269263
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(4-ethylphenyl)methanone
CID 69268412
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylmethoxyethanone
CID 134034086
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 69269102
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-quinoxalin-2-ylmethanone
CID 69266782
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(3-methoxyphenyl)methanone
CID 69267728
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-phenylmethoxyethanone
CID 91785016
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 69271185
4-cyclopropyl-11-(2-phenylmethoxyacetyl)-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 42795991
2-(4-methylphenyl)-6-(2-phenylmethoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135538481

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone?
The IUPAC name of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone (CID 69269067) is 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone.
What is the SMILES notation for 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone?
The canonical SMILES for 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone is Nc1ncnc2c1CCN(C(=O)COCc1ccccc1)C2.
What is the InChIKey of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone?
The InChIKey is APNQLQABMSRAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-16-13-6-7-20(8-14(13)18-11-19-16)15(21)10-22-9-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H2,17,18,19).
What are the key properties of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone?
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone has a molecular weight of 298.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone is sourced from PubChem (CID 69269067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).