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

C18H22N4O4 — CID 2091447

IUPAC6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H22N4O4/c1-20-17(24)15(14(23)12-21-7-9-26-10-8-21)16(19)22(18(20)25)11-13-5-3-2-4-6-13/h2-6H,7-12,19H2,1H3
InChIKeyRYDDTVTUABMJHU-UHFFFAOYSA-N
MW358.40 g/mol
LogP-0.31
Rot. Bonds5

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

6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione (PubChem CID 2091447) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
PubChem CID2091447
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
SMILESCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O
InChIInChI=1S/C18H22N4O4/c1-20-17(24)15(14(23)12-21-7-9-26-10-8-21)16(19)22(18(20)25)11-13-5-3-2-4-6-13/h2-6H,7-12,19H2,1H3
InChIKeyRYDDTVTUABMJHU-UHFFFAOYSA-N
XLogP-0.31
TPSA99.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2579979
6-Amino-5-[2-(azepan-1-yl)acetyl]-1-benzyl-3-methylpyrimidine-2,4-dione
CID 2101243
Methyl 2-[4-amino-3-benzyl-5-(2-chloroacetyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl]acetate
CID 2339296
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(2-phenylethyl)acetamide
CID 2499945
2-(4-amino-3-butyl-5-morpholin-4-yl-2,6-dioxopyrimidin-1-yl)-N-(1-phenylethyl)acetamide
CID 4221772
3-[(4-fluorophenyl)methyl]-6-morpholin-4-yl-1H-pyrimidine-2,4-dione
CID 4621937
6-amino-5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2441181
6-Amino-1-benzyl-5-[2-(diethylamino)acetyl]-3-methylpyrimidine-2,4-dione
CID 2511610
6-Amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
CID 2119654
7-amino-1-benzyl-3-ethyl-1H,2H,3H,4H,5H,8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
CID 2363691
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide
CID 2469748
6-Amino-1-benzyl-3-ethyl-5-[2-[(4-fluorophenyl)methyl-methylamino]acetyl]pyrimidine-2,4-dione
CID 2449273

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione (CID 2091447) is 6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione is Cn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O.
What is the InChIKey of 6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione?
The InChIKey is RYDDTVTUABMJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-20-17(24)15(14(23)12-21-7-9-26-10-8-21)16(19)22(18(20)25)11-13-5-3-2-4-6-13/h2-6H,7-12,19H2,1H3.
What are the key properties of 6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione?
6-amino-1-benzyl-3-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of -0.31, 5 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-methyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2091447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).