5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

C12H18N4O4 — CID 125438878

IUPAC5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCO[C@H](CN)C1
InChIInChI=1S/C12H18N4O4/c1-7-9(11(18)15-12(19)14-7)4-10(17)16-2-3-20-8(5-13)6-16/h8H,2-6,13H2,1H3,(H2,14,15,18,19)/t8-/m1/s1
InChIKeyZAGXNOXLAAPQTJ-MRVPVSSYSA-N
MW282.30 g/mol
LogP-1.90
Rot. Bonds3

About 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 125438878) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID125438878
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCO[C@H](CN)C1
InChIInChI=1S/C12H18N4O4/c1-7-9(11(18)15-12(19)14-7)4-10(17)16-2-3-20-8(5-13)6-16/h8H,2-6,13H2,1H3,(H2,14,15,18,19)/t8-/m1/s1
InChIKeyZAGXNOXLAAPQTJ-MRVPVSSYSA-N
XLogP-1.90
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-methyl-5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 72878302
1-[2-(aminomethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 114398267
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
CID 56755872
5-[2-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 99978950
6-methyl-5-[2-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 95545178
1-[2-(aminomethyl)morpholin-4-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 114398270
2-(aminomethyl)-N-ethylmorpholine-4-carboxamide
CID 61337795
1-[2-(aminomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114873390
1-[2-(aminomethyl)morpholin-4-yl]-2-cyclobutylethanone
CID 104922136
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128
6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 77094615
6-methyl-5-[2-[4-(4-methylphenoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 70759958

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 125438878) is 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCO[C@H](CN)C1.
What is the InChIKey of 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZAGXNOXLAAPQTJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-7-9(11(18)15-12(19)14-7)4-10(17)16-2-3-20-8(5-13)6-16/h8H,2-6,13H2,1H3,(H2,14,15,18,19)/t8-/m1/s1.
What are the key properties of 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 282.30 g/mol, XLogP of -1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-2-(aminomethyl)morpholin-4-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 125438878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).