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

C20H26N4O3 — CID 2091427

IUPAC6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H26N4O3/c1-2-23-19(26)17(16(25)14-22-11-7-4-8-12-22)18(21)24(20(23)27)13-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14,21H2,1H3
InChIKeyNHIBOUMNXJGNJX-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.33
Rot. Bonds6

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

6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione (PubChem CID 2091427) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
PubChem CID2091427
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H26N4O3/c1-2-23-19(26)17(16(25)14-22-11-7-4-8-12-22)18(21)24(20(23)27)13-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14,21H2,1H3
InChIKeyNHIBOUMNXJGNJX-UHFFFAOYSA-N
XLogP1.33
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.33
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-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione (CID 2091427) is 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCCCC2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
The InChIKey is NHIBOUMNXJGNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-2-23-19(26)17(16(25)14-22-11-7-4-8-12-22)18(21)24(20(23)27)13-15-9-5-3-6-10-15/h3,5-6,9-10H,2,4,7-8,11-14,21H2,1H3.
What are the key properties of 6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione?
6-amino-1-benzyl-3-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 1.33, 6 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-ethyl-5-(2-piperidin-1-ylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2091427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).