2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid

C9H12N4O3 — CID 118484379

IUPAC2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid
SMILESNc1cnc(C2CN(C(=O)O)CCO2)nc1
InChIInChI=1S/C9H12N4O3/c10-6-3-11-8(12-4-6)7-5-13(9(14)15)1-2-16-7/h3-4,7H,1-2,5,10H2,(H,14,15)
InChIKeyJCPIGCLHRLKSDJ-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.11
Rot. Bonds1

About 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid

2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid (PubChem CID 118484379) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid
PubChem CID118484379
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid
SMILESNc1cnc(C2CN(C(=O)O)CCO2)nc1
InChIInChI=1S/C9H12N4O3/c10-6-3-11-8(12-4-6)7-5-13(9(14)15)1-2-16-7/h3-4,7H,1-2,5,10H2,(H,14,15)
InChIKeyJCPIGCLHRLKSDJ-UHFFFAOYSA-N
XLogP0.11
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Morpholin-4-yl)pyrimidin-5-amine
CID 12395471
1,1-Dimethylethyl 4-(5-amino-2-pyrimidinyl)-1-piperazinecarboxylate
CID 59464319
4-Morpholinopyrimidin-5-amine
CID 79910418
2-methoxy-N-(2-morpholinopyrimidin-5-yl)acetamide
CID 53164837
N-(2-hydroxyethyl)-4-pyrimidin-5-ylmorpholine-2-carboxamide
CID 110269433
N4,N4-dimethyl-2-(morpholin-4-yl)pyrimidine-4,5-diamine
CID 121204937
(3S)-N-(2-ethylpyrimidin-5-yl)-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 164629545
4,5-Diamino-2-morpholinopyrimidine
CID 129786420
3-(2-Ethylpyrimidin-5-yl)-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 109970046
3,3,3-trifluoro-N-(2-morpholinopyrimidin-5-yl)propanamide
CID 122298945
4-[(2R,6S)-2,6-Dimethylmorpholin-4-yl]-2-fluoropyrimidin-5-amine
CID 165350631
N-(2-morpholinopyrimidin-5-yl)isobutyramide
CID 71789981

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid?
The IUPAC name of 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid (CID 118484379) is 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid.
What is the SMILES notation for 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid?
The canonical SMILES for 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid is Nc1cnc(C2CN(C(=O)O)CCO2)nc1.
What is the InChIKey of 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid?
The InChIKey is JCPIGCLHRLKSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c10-6-3-11-8(12-4-6)7-5-13(9(14)15)1-2-16-7/h3-4,7H,1-2,5,10H2,(H,14,15).
What are the key properties of 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid?
2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopyrimidin-2-yl)morpholine-4-carboxylic acid is sourced from PubChem (CID 118484379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).