1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one

C9H13N3O2 — CID 123620682

IUPAC1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one
SMILESCCOc1ncnc(N)c1C(=O)CC
InChIInChI=1S/C9H13N3O2/c1-3-6(13)7-8(10)11-5-12-9(7)14-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyBSVXNIVITOOMOD-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.05
Rot. Bonds4

About 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one

1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one (PubChem CID 123620682) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one
PubChem CID123620682
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one
SMILESCCOc1ncnc(N)c1C(=O)CC
InChIInChI=1S/C9H13N3O2/c1-3-6(13)7-8(10)11-5-12-9(7)14-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12)
InChIKeyBSVXNIVITOOMOD-UHFFFAOYSA-N
XLogP1.05
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-Dimethoxypyrimidin-5-yl)ethan-1-one
CID 535968
1-(2,4-Dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one
CID 101460513
5-Acetyl-4-amino-6-methoxypyrimidine
CID 137797087
4-Butoxypyrido[2,3-d]pyrimidin-5-one
CID 162540281
5-Propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80858733
N-methyl-5-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
CID 80859269
5-Propyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-4-amine
CID 80868468
6-(2,2,3,3,3-Pentafluoropropoxy)-5-propylpyrimidin-4-amine
CID 80877973
5-Propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80878202
6-(2,2-difluoroethoxy)-N-methyl-5-propylpyrimidin-4-amine
CID 82008868
6-(2,2-Difluoroethoxy)-5-propylpyrimidin-4-amine
CID 82009928
5-Propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794975

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one?
The IUPAC name of 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one (CID 123620682) is 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one?
The canonical SMILES for 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one is CCOc1ncnc(N)c1C(=O)CC.
What is the InChIKey of 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one?
The InChIKey is BSVXNIVITOOMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-3-6(13)7-8(10)11-5-12-9(7)14-4-2/h5H,3-4H2,1-2H3,(H2,10,11,12).
What are the key properties of 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one?
1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one has a molecular weight of 195.22 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-ethoxypyrimidin-5-yl)propan-1-one is sourced from PubChem (CID 123620682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).