4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide

C11H17N5O2 — CID 116797240

IUPAC4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1nccc(N)n1
InChIInChI=1S/C11H17N5O2/c1-2-13-10(17)8-7-18-6-5-16(8)11-14-4-3-9(12)15-11/h3-4,8H,2,5-7H2,1H3,(H,13,17)(H2,12,14,15)
InChIKeyYXQWDAFJWFWEGQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.60
Rot. Bonds3

About 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide

4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide (PubChem CID 116797240) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide
PubChem CID116797240
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1nccc(N)n1
InChIInChI=1S/C11H17N5O2/c1-2-13-10(17)8-7-18-6-5-16(8)11-14-4-3-9(12)15-11/h3-4,8H,2,5-7H2,1H3,(H,13,17)(H2,12,14,15)
InChIKeyYXQWDAFJWFWEGQ-UHFFFAOYSA-N
XLogP-0.60
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-amino-6-methoxy-2-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83106690
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylmorpholine-3-carboxamide
CID 83107123
4-(6-amino-5-ethylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83105787
5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid
CID 83100843
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
CID 115935490
4-(2-chloro-6-methylpyrimidin-4-yl)-N-ethylmorpholine-3-carboxamide
CID 83103546
4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83097290
4-(2-amino-4-fluoro-5-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 103590656
4-[4-(aminomethyl)-2-chlorophenyl]-N-ethylmorpholine-3-carboxamide
CID 83106357
4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 104717013
4-[5-bromo-2-(1-hydroxyethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83101857

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide (CID 116797240) is 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1nccc(N)n1.
What is the InChIKey of 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is YXQWDAFJWFWEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-2-13-10(17)8-7-18-6-5-16(8)11-14-4-3-9(12)15-11/h3-4,8H,2,5-7H2,1H3,(H,13,17)(H2,12,14,15).
What are the key properties of 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide?
4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopyrimidin-2-yl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 116797240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).