2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one

C14H17N3O2 — CID 135465387

IUPAC2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCCOCCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-2-19-9-8-11-12(10-6-4-3-5-7-10)16-14(15)17-13(11)18/h3-7H,2,8-9H2,1H3,(H3,15,16,17,18)
InChIKeyHOUMGFXXFHYYFX-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one

2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135465387) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135465387
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one
SMILESCCOCCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C14H17N3O2/c1-2-19-9-8-11-12(10-6-4-3-5-7-10)16-14(15)17-13(11)18/h3-7H,2,8-9H2,1H3,(H3,15,16,17,18)
InChIKeyHOUMGFXXFHYYFX-UHFFFAOYSA-N
XLogP1.60
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
Ethyl (4-hydroxy-6-methyl-2-phenylpyrimidin-5-yl)acetate
CID 135449514
2-Amino-5-ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135465383
2-amino-4-phenyl-5-prop-2-ynyl-1H-pyrimidin-6-one
CID 135465385
2-Acetamido-6-phenyl-4-pyrimidinone
CID 135590630
5-allyl-2-amino-4-phenyl-1H-pyrimidin-6-one
CID 135465384
2-amino-4-phenyl-5-propyl-1H-pyrimidin-6-one
CID 135465386
4-benzyl-2-methoxy-5-methyl-1H-pyrimidin-6-one
CID 135483748
4-benzyl-5-methyl-2-propoxy-1H-pyrimidin-6-one
CID 135483749
4-benzyl-2-isopropoxy-5-methyl-1H-pyrimidin-6-one
CID 135483750
4-benzyl-2-butoxy-5-methyl-1H-pyrimidin-6-one
CID 135483751
4-benzyl-5-methyl-2-pentoxy-1H-pyrimidin-6-one
CID 135483753

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one (CID 135465387) is 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one is CCOCCc1c(-c2ccccc2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is HOUMGFXXFHYYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-9-8-11-12(10-6-4-3-5-7-10)16-14(15)17-13(11)18/h3-7H,2,8-9H2,1H3,(H3,15,16,17,18).
What are the key properties of 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one?
2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 259.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-ethoxyethyl)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135465387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).