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

C15H19N3O2 — CID 16795429

IUPAC1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one
SMILESCCCOc1ccc(C(N)Cn2cccnc2=O)cc1
InChIInChI=1S/C15H19N3O2/c1-2-10-20-13-6-4-12(5-7-13)14(16)11-18-9-3-8-17-15(18)19/h3-9,14H,2,10-11,16H2,1H3
InChIKeyQFJVKBPWSDOGNV-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.73
Rot. Bonds6

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

1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one (PubChem CID 16795429) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one
PubChem CID16795429
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one
SMILESCCCOc1ccc(C(N)Cn2cccnc2=O)cc1
InChIInChI=1S/C15H19N3O2/c1-2-10-20-13-6-4-12(5-7-13)14(16)11-18-9-3-8-17-15(18)19/h3-9,14H,2,10-11,16H2,1H3
InChIKeyQFJVKBPWSDOGNV-UHFFFAOYSA-N
XLogP1.73
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(4-ethoxyphenyl)ethyl]pyrimidin-2-one
CID 16787547
1-(2-aminobutyl)pyrimidin-2-one
CID 62040793
1-[2-amino-2-(4-propoxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62489955
1-[(2S)-2-aminopropyl]pyrimidin-2-one
CID 30429240
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[2-(4-methoxyphenoxy)ethyl]pyrimidin-2-one
CID 113226507
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
1-[2-amino-2-(2,6-difluorophenyl)ethyl]pyrimidin-2-one
CID 16783356
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
2-(3,5-dimethylpyrazol-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16783595
1-[2-amino-2-(4-propoxyphenyl)ethyl]piperidin-2-one
CID 43212279
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one (CID 16795429) is 1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one is CCCOc1ccc(C(N)Cn2cccnc2=O)cc1.
What is the InChIKey of 1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one?
The InChIKey is QFJVKBPWSDOGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-10-20-13-6-4-12(5-7-13)14(16)11-18-9-3-8-17-15(18)19/h3-9,14H,2,10-11,16H2,1H3.
What are the key properties of 1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one?
1-[2-amino-2-(4-propoxyphenyl)ethyl]pyrimidin-2-one has a molecular weight of 273.34 g/mol, XLogP of 1.73, 6 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-propoxyphenyl)ethyl]pyrimidin-2-one is sourced from PubChem (CID 16795429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).