6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione

C19H24N4O3 — CID 2089927

IUPAC6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H24N4O3/c1-21-18(25)16(15(24)13-22-10-6-3-7-11-22)17(20)23(19(21)26)12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13,20H2,1H3
InChIKeyFJPXOHWSIRWEJB-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.85
Rot. Bonds5

About 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione

6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione (PubChem CID 2089927) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
PubChem CID2089927
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H24N4O3/c1-21-18(25)16(15(24)13-22-10-6-3-7-11-22)17(20)23(19(21)26)12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13,20H2,1H3
InChIKeyFJPXOHWSIRWEJB-UHFFFAOYSA-N
XLogP0.85
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione (CID 2089927) is 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione is Cn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The InChIKey is FJPXOHWSIRWEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21-18(25)16(15(24)13-22-10-6-3-7-11-22)17(20)23(19(21)26)12-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13,20H2,1H3.
What are the key properties of 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione has a molecular weight of 356.43 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-3-methyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2089927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).