6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

C16H27N4O4+ — CID 2681684

IUPAC6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O4/c1-5-6-20-14(17)13(15(22)18(4)16(20)23)12(21)9-19-7-10(2)24-11(3)8-19/h10-11H,5-9,17H2,1-4H3/p+1/t10-,11-/m1/s1
InChIKeyISFDIJLEMHHNTR-GHMZBOCLSA-O
MW339.42 g/mol
LogP-1.59
Rot. Bonds5

About 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 2681684) has the molecular formula C16H27N4O4+ and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID2681684
Molecular FormulaC16H27N4O4+
Molecular Weight339.42 g/mol
Exact Mass339.20
IUPAC Name6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(C(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)n(C)c1=O
InChIInChI=1S/C16H26N4O4/c1-5-6-20-14(17)13(15(22)18(4)16(20)23)12(21)9-19-7-10(2)24-11(3)8-19/h10-11H,5-9,17H2,1-4H3/p+1/t10-,11-/m1/s1
InChIKeyISFDIJLEMHHNTR-GHMZBOCLSA-O
XLogP-1.59
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione with MolForge

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Launch Full Analysis

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-1,3-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-(2,6-dimethylmorpholin-4-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 16554569
6-Amino-5-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetyl]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 25479392
Methyl 2-[4-[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 30737346
6-Amino-3-methyl-5-(2-piperidin-1-ium-1-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 2441152
6-amino-5-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2681681

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 2681684) is 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(C(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is ISFDIJLEMHHNTR-GHMZBOCLSA-O. The full InChI is InChI=1S/C16H26N4O4/c1-5-6-20-14(17)13(15(22)18(4)16(20)23)12(21)9-19-7-10(2)24-11(3)8-19/h10-11H,5-9,17H2,1-4H3/p+1/t10-,11-/m1/s1.
What are the key properties of 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 339.42 g/mol, XLogP of -1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2681684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).