5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one

C8H13N3O — CID 83873637

IUPAC5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(CCN)c(=O)n1C
InChIInChI=1S/C8H13N3O/c1-6-10-5-7(3-4-9)8(12)11(6)2/h5H,3-4,9H2,1-2H3
InChIKeyZINNLXYAFAKZCN-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.41
Rot. Bonds2

About 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one

5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one (PubChem CID 83873637) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one
PubChem CID83873637
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one
SMILESCc1ncc(CCN)c(=O)n1C
InChIInChI=1S/C8H13N3O/c1-6-10-5-7(3-4-9)8(12)11(6)2/h5H,3-4,9H2,1-2H3
InChIKeyZINNLXYAFAKZCN-UHFFFAOYSA-N
XLogP-0.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-2-(fluoromethyl)-1H-pyrimidin-6-one
CID 152078762
5-Ethyl-3-methyl-2-(trifluoromethyl)pyrimidin-4-one
CID 170583066
Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
2-(4-Hydroxy-2-trifluoromethyl-pyrimidin-5-yl)-N,N-dimethyl-acetamide
CID 99983897
5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 5015079
5-Ethyl-2,3-dimethyl-6-(methylamino)pyrimidin-4-one
CID 18334367
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 24903699
5-ethyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 24903855
2,5-diethyl-1H-pyrimidin-6-one
CID 53918073
3,5-Diethylpyrimidin-4-one
CID 89749476

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one (CID 83873637) is 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one is Cc1ncc(CCN)c(=O)n1C.
What is the InChIKey of 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one?
The InChIKey is ZINNLXYAFAKZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-10-5-7(3-4-9)8(12)11(6)2/h5H,3-4,9H2,1-2H3.
What are the key properties of 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one?
5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one has a molecular weight of 167.21 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 83873637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).