5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one

C8H13N3O — CID 22949222

IUPAC5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one
SMILESCCn1c(C)nc(C)c(N)c1=O
InChIInChI=1S/C8H13N3O/c1-4-11-6(3)10-5(2)7(9)8(11)12/h4,9H2,1-3H3
InChIKeyROODJGHWZCRRLO-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.46
Rot. Bonds1

About 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one

5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one (PubChem CID 22949222) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one
PubChem CID22949222
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one
SMILESCCn1c(C)nc(C)c(N)c1=O
InChIInChI=1S/C8H13N3O/c1-4-11-6(3)10-5(2)7(9)8(11)12/h4,9H2,1-3H3
InChIKeyROODJGHWZCRRLO-UHFFFAOYSA-N
XLogP0.46
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Diethylaminomethyl)-4-hydroxy-2-methylpyrimidine
CID 135508651
5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol
CID 135422862
5-Amino-2,6-dimethylpyrimidin-4-ol
CID 135439770
2-[(dimethylamino)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136293547
N-(1-ethyl-2,4-dimethyl-6-oxopyrimidin-5-yl)methanesulfonamide
CID 20709867
5-Amino-2-methyl-3-prop-2-enylpyrimidin-4-one
CID 22943391
2-(5-Amino-2,4-dimethyl-6-oxopyrimidin-1-yl)acetate
CID 53645066
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 60092752
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092907
6-(Aminomethyl)-1,2,5-trimethylpyrimidin-4-one
CID 60125702
6-(aminomethyl)-1,2-dimethyl-5H-pyrimidin-5-id-4-one;yttrium
CID 60125801
5-Amino-2,3-dimethylpyrimidin-4-one
CID 84648403

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one (CID 22949222) is 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one is CCn1c(C)nc(C)c(N)c1=O.
What is the InChIKey of 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one?
The InChIKey is ROODJGHWZCRRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-11-6(3)10-5(2)7(9)8(11)12/h4,9H2,1-3H3.
What are the key properties of 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one?
5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 22949222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).