6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione

C14H23N4O4+ — CID 2682261

IUPAC6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O4/c1-3-4-18-12(15)11(13(20)16(2)14(18)21)10(19)9-17-5-7-22-8-6-17/h3-9,15H2,1-2H3/p+1
InChIKeyFLUOQTOSEHRVTN-UHFFFAOYSA-O
MW311.36 g/mol
LogP-2.36
Rot. Bonds5

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

6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione (PubChem CID 2682261) has the molecular formula C14H23N4O4+ and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione
PubChem CID2682261
Molecular FormulaC14H23N4O4+
Molecular Weight311.36 g/mol
Exact Mass311.17
IUPAC Name6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2CCOCC2)c(=O)n(C)c1=O
InChIInChI=1S/C14H22N4O4/c1-3-4-18-12(15)11(13(20)16(2)14(18)21)10(19)9-17-5-7-22-8-6-17/h3-9,15H2,1-2H3/p+1
InChIKeyFLUOQTOSEHRVTN-UHFFFAOYSA-O
XLogP-2.36
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-2.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-Amino-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 42927005
6-Amino-5-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 45800940
6-Amino-5-[2-(morpholin-4-yl)-2-oxoacetyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 129753535
6-Amino-1,3-dimethyl-5-[(2-morpholin-4-yl)-2-oxoacetyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 129753675
6-amino-1-(2-methoxyethyl)-5-[2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25639162
6-amino-1-(2-methoxyethyl)-5-[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 25639164
6-Amino-1-(2-methoxyethyl)-5-[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]pyrimidine-2,4-dione
CID 42927085
6-Amino-1,3-dimethyl-5-(2-morpholin-4-ylacetyl)pyrimidine-2,4-dione
CID 4360558
6-Amino-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-1-propylpyrimidine-2,4-dione
CID 4849753
6-Amino-5-(2-morpholin-4-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 4851826
6-Amino-5-[2-(butylamino)acetyl]-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 15993495
6-Amino-5-[2-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16554569

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione (CID 2682261) is 6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)C[NH+]2CCOCC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is FLUOQTOSEHRVTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N4O4/c1-3-4-18-12(15)11(13(20)16(2)14(18)21)10(19)9-17-5-7-22-8-6-17/h3-9,15H2,1-2H3/p+1.
What are the key properties of 6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 311.36 g/mol, XLogP of -2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-(2-morpholin-4-ium-4-ylacetyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2682261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).