2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C18H20N4O3 — CID 166354761

IUPAC2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(C(=O)C1(c3ccccc3)CCOCC1)C2
InChIInChI=1S/C18H20N4O3/c19-17-20-14-11-22(10-13(14)15(23)21-17)16(24)18(6-8-25-9-7-18)12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,19,20,21,23)
InChIKeyOSECFCQJALXFBP-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.94
Rot. Bonds2

About 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 166354761) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID166354761
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESNc1nc2c(c(=O)[nH]1)CN(C(=O)C1(c3ccccc3)CCOCC1)C2
InChIInChI=1S/C18H20N4O3/c19-17-20-14-11-22(10-13(14)15(23)21-17)16(24)18(6-8-25-9-7-18)12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,19,20,21,23)
InChIKeyOSECFCQJALXFBP-UHFFFAOYSA-N
XLogP0.94
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-amino-6-phenyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 135432076
[2-(2-methylphenyl)-3-pyrrol-1-yl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-(4-phenyloxan-4-yl)methanone
CID 90502049
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122335188
[4-(benzenesulfonyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 39906268
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl-(4-phenyloxan-4-yl)methanone
CID 71785131
1-(4-phenyloxane-4-carbonyl)piperidine-3-carboxylic acid
CID 119128018
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121018084
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 122281212
2-(4-chlorophenyl)-1-[4-(4-phenyloxane-4-carbonyl)piperazin-1-yl]ethanone
CID 78891083
[4-(isoquinolin-8-ylmethyl)azepan-1-yl]-(4-phenyloxan-4-yl)methanone
CID 110149312
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 166354761) is 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Nc1nc2c(c(=O)[nH]1)CN(C(=O)C1(c3ccccc3)CCOCC1)C2.
What is the InChIKey of 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is OSECFCQJALXFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-17-20-14-11-22(10-13(14)15(23)21-17)16(24)18(6-8-25-9-7-18)12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,19,20,21,23).
What are the key properties of 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 340.38 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 166354761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).