3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione

C13H15N3O2 — CID 106934085

IUPAC3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H15N3O2/c14-7-9-16-12(17)6-8-15(13(16)18)10-11-4-2-1-3-5-11/h1-6,8H,7,9-10,14H2
InChIKeyDICKHPHIIOHYDF-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.02
Rot. Bonds4

About 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione

3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione (PubChem CID 106934085) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
PubChem CID106934085
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione
SMILESNCCn1c(=O)ccn(Cc2ccccc2)c1=O
InChIInChI=1S/C13H15N3O2/c14-7-9-16-12(17)6-8-15(13(16)18)10-11-4-2-1-3-5-11/h1-6,8H,7,9-10,14H2
InChIKeyDICKHPHIIOHYDF-UHFFFAOYSA-N
XLogP0.02
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethyl)-1-[(4-chlorophenyl)methyl]pyrimidine-2,4-dione
CID 106934163
3-benzyl-1-[(3-bromophenyl)methyl]pyrimidine-2,4-dione
CID 166190063
3-(2-aminoethyl)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 106934083
3-(3-aminopropyl)-1-[(2,6-dichlorophenyl)methyl]pyrimidine-2,4-dione
CID 106933923
naphthalen-1-ylmethyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136842
1,3-bis[(4-bromophenyl)methyl]pyrimidine-2,4-dione
CID 10765948
(4-nitrophenyl)methyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136770
3-(2-aminoethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyrimidine-2,4-dione
CID 106934090
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 29353373
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
[2-(2-methylanilino)-2-oxoethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136786
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136931

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione (CID 106934085) is 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione is NCCn1c(=O)ccn(Cc2ccccc2)c1=O.
What is the InChIKey of 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione?
The InChIKey is DICKHPHIIOHYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-7-9-16-12(17)6-8-15(13(16)18)10-11-4-2-1-3-5-11/h1-6,8H,7,9-10,14H2.
What are the key properties of 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione?
3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione has a molecular weight of 245.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1-benzylpyrimidine-2,4-dione is sourced from PubChem (CID 106934085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).