4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide

C11H13ClN4O3 — CID 83095423

IUPAC4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide
SMILESCc1nc(Cl)c(C=O)c(N2CCOCC2C(N)=O)n1
InChIInChI=1S/C11H13ClN4O3/c1-6-14-9(12)7(4-17)11(15-6)16-2-3-19-5-8(16)10(13)18/h4,8H,2-3,5H2,1H3,(H2,13,18)
InChIKeyHLOZTNAWLFDAJA-UHFFFAOYSA-N
MW284.70 g/mol
LogP-0.06
Rot. Bonds3

About 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide

4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide (PubChem CID 83095423) has the molecular formula C11H13ClN4O3 and a molecular weight of 284.70 g/mol. Its IUPAC name is 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide
PubChem CID83095423
Molecular FormulaC11H13ClN4O3
Molecular Weight284.70 g/mol
Exact Mass284.07
IUPAC Name4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide
SMILESCc1nc(Cl)c(C=O)c(N2CCOCC2C(N)=O)n1
InChIInChI=1S/C11H13ClN4O3/c1-6-14-9(12)7(4-17)11(15-6)16-2-3-19-5-8(16)10(13)18/h4,8H,2-3,5H2,1H3,(H2,13,18)
InChIKeyHLOZTNAWLFDAJA-UHFFFAOYSA-N
XLogP-0.06
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-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-chloro-6-(3-ethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732462
4-(4-chloro-5-formyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 83096652
4-chloro-6-(3,3-dimethylmorpholin-4-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80732381
4-[5-(aminomethyl)-2-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 112754984
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
CID 80732052
4-(6-chloropyrazin-2-yl)morpholine-3-carboxamide
CID 83095551
4-(3-amino-5-methyl-2-pyridinyl)morpholine-3-carboxamide
CID 83101058
4-(4-amino-1-methylpyrazol-3-yl)morpholine-3-carboxamide
CID 103078791
4-chloro-6-(2-ethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carbaldehyde
CID 80733265
4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]morpholine-3-carboxamide
CID 75499749
4-(4-cyano-6-methylpyrimidin-2-yl)morpholine-3-carboxamide
CID 107545048

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide?
The IUPAC name of 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide (CID 83095423) is 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide.
What is the SMILES notation for 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide?
The canonical SMILES for 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide is Cc1nc(Cl)c(C=O)c(N2CCOCC2C(N)=O)n1.
What is the InChIKey of 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide?
The InChIKey is HLOZTNAWLFDAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O3/c1-6-14-9(12)7(4-17)11(15-6)16-2-3-19-5-8(16)10(13)18/h4,8H,2-3,5H2,1H3,(H2,13,18).
What are the key properties of 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide?
4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide has a molecular weight of 284.70 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-formyl-2-methylpyrimidin-4-yl)morpholine-3-carboxamide is sourced from PubChem (CID 83095423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).