1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one

C14H17N3O2 — CID 16787547

IUPAC1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one
SMILESCCOc1ccc(C(N)Cn2cccnc2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-2-19-12-6-4-11(5-7-12)13(15)10-17-9-3-8-16-14(17)18/h3-9,13H,2,10,15H2,1H3
InChIKeyOBOUDOCIDRZQBG-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.34
Rot. Bonds5

About 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one

1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one (PubChem CID 16787547) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one
PubChem CID16787547
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one
SMILESCCOc1ccc(C(N)Cn2cccnc2=O)cc1
InChIInChI=1S/C14H17N3O2/c1-2-19-12-6-4-11(5-7-12)13(15)10-17-9-3-8-16-14(17)18/h3-9,13H,2,10,15H2,1H3
InChIKeyOBOUDOCIDRZQBG-UHFFFAOYSA-N
XLogP1.34
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one
CID 16795429
1-(2-aminobutyl)pyrimidin-2-one
CID 62040793
1-[(2S)-2-aminopropyl]pyrimidin-2-one
CID 30429240
1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one
CID 16783356
3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212257
3-[2-amino-2-(4-ethoxyphenyl)ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 64632965
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
2-[2-amino-2-(4-ethoxyphenyl)ethoxy]acetamide
CID 61327412
3-[2-amino-2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-one
CID 61224182
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16787975
3-amino-3-(4-ethoxyphenyl)propan-1-ol
CID 3846701

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one (CID 16787547) is 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one is CCOc1ccc(C(N)Cn2cccnc2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one?
The InChIKey is OBOUDOCIDRZQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-12-6-4-11(5-7-12)13(15)10-17-9-3-8-16-14(17)18/h3-9,13H,2,10,15H2,1H3.
What are the key properties of 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one?
1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one is sourced from PubChem (CID 16787547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).