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

C19H24N4O4 — CID 2119654

IUPAC6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H24N4O4/c1-2-22-18(25)16(15(24)13-21-8-10-27-11-9-21)17(20)23(19(22)26)12-14-6-4-3-5-7-14/h3-7H,2,8-13,20H2,1H3
InChIKeyXHMQDZNZOASAIV-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.18
Rot. Bonds6

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

6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione (PubChem CID 2119654) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
PubChem CID2119654
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
SMILESCCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H24N4O4/c1-2-22-18(25)16(15(24)13-21-8-10-27-11-9-21)17(20)23(19(22)26)12-14-6-4-3-5-7-14/h3-7H,2,8-13,20H2,1H3
InChIKeyXHMQDZNZOASAIV-UHFFFAOYSA-N
XLogP0.18
TPSA99.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione (CID 2119654) is 6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione is CCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione?
The InChIKey is XHMQDZNZOASAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-2-22-18(25)16(15(24)13-21-8-10-27-11-9-21)17(20)23(19(22)26)12-14-6-4-3-5-7-14/h3-7H,2,8-13,20H2,1H3.
What are the key properties of 6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione?
6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione has a molecular weight of 372.43 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2119654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).