2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane

C17H23N3O3 — CID 170789392

IUPAC2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.Nc1cnc(-c2ccccc2)n(CC=O)c1=O
InChIInChI=1S/C12H11N3O2.C5H12O/c13-10-8-14-11(9-4-2-1-3-5-9)15(6-7-16)12(10)17;1-5(2,3)6-4/h1-5,7-8H,6,13H2;1-4H3
InChIKeyPWZKLKMGDNZVQJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.12
Rot. Bonds3

About 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane

2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane (PubChem CID 170789392) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane
PubChem CID170789392
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.Nc1cnc(-c2ccccc2)n(CC=O)c1=O
InChIInChI=1S/C12H11N3O2.C5H12O/c13-10-8-14-11(9-4-2-1-3-5-9)15(6-7-16)12(10)17;1-5(2,3)6-4/h1-5,7-8H,6,13H2;1-4H3
InChIKeyPWZKLKMGDNZVQJ-UHFFFAOYSA-N
XLogP2.12
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane?
The IUPAC name of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane (CID 170789392) is 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane.
What is the SMILES notation for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane?
The canonical SMILES for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane is COC(C)(C)C.Nc1cnc(-c2ccccc2)n(CC=O)c1=O.
What is the InChIKey of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane?
The InChIKey is PWZKLKMGDNZVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2.C5H12O/c13-10-8-14-11(9-4-2-1-3-5-9)15(6-7-16)12(10)17;1-5(2,3)6-4/h1-5,7-8H,6,13H2;1-4H3.
What are the key properties of 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane?
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane has a molecular weight of 317.39 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetaldehyde;2-methoxy-2-methylpropane is sourced from PubChem (CID 170789392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).