4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid

C9H12N4O4 — CID 136959131

IUPAC4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESNc1c(N2CCOCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H12N4O4/c10-6-7(11-4-12-8(6)14)13-1-2-17-3-5(13)9(15)16/h4-5H,1-3,10H2,(H,15,16)(H,11,12,14)
InChIKeyYXRRJSXBJRIRDY-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.36
Rot. Bonds2

About 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid

4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (PubChem CID 136959131) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
PubChem CID136959131
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
SMILESNc1c(N2CCOCC2C(=O)O)nc[nH]c1=O
InChIInChI=1S/C9H12N4O4/c10-6-7(11-4-12-8(6)14)13-1-2-17-3-5(13)9(15)16/h4-5H,1-3,10H2,(H,15,16)(H,11,12,14)
InChIKeyYXRRJSXBJRIRDY-UHFFFAOYSA-N
XLogP-1.36
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylpyrazin-2-yl)morpholine-3-carboxylic acid
CID 83064675
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827
5-amino-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958154
1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxylic acid
CID 136978434
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 137015946
4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid
CID 136959134
methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate
CID 104775327
5-amino-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137009406
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 137007468
5-amino-4-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-1H-pyrimidin-6-one
CID 137016046
4-(3-amino-5-methyl-2-pyridinyl)morpholine-3-carboxamide
CID 83101058
4-(4-amino-1,3-benzothiazol-5-yl)morpholine-3-carboxamide
CID 83101060

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid (CID 136959131) is 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is Nc1c(N2CCOCC2C(=O)O)nc[nH]c1=O.
What is the InChIKey of 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
The InChIKey is YXRRJSXBJRIRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c10-6-7(11-4-12-8(6)14)13-1-2-17-3-5(13)9(15)16/h4-5H,1-3,10H2,(H,15,16)(H,11,12,14).
What are the key properties of 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid?
4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of -1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-6-oxo-1H-pyrimidin-4-yl)morpholine-3-carboxylic acid is sourced from PubChem (CID 136959131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).