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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde
CID 57271576
5-amino-3-ethyl-2-phenylpyrimidin-4-one
CID 142150643
benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
CID 10361338
5-methyl-2-phenyl-3-prop-2-enylpyrimidin-4-one
CID 142016794
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[(2S)-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-3-methyl-1-oxobutan-2-yl]acetamide
CID 10343847
benzyl N-[2-(3-chlorophenyl)-6-oxo-1-(2-oxoethyl)pyrimidin-5-yl]carbamate
CID 15895419
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 18366637
2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-(4-chloro-3-oxo-1-phenylbutan-2-yl)acetamide;hydrochloride
CID 23073095
4-[[2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)acetyl]amino]-2,2-difluoro-5-methyl-3-oxo-N-propylhexanamide
CID 19390780
3-(2-cyclobutylideneethyl)-2-phenyl-5-(5-phenylpentylamino)pyrimidin-4-one
CID 170789658
1-benzyl-5-methyl-2-phenylimidazole
CID 10467205
ethane;2-methoxy-2-methylpropane;3-phenoxypropanal
CID 143934992

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).