N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide

C13H21N5O3 — CID 68557110

IUPACN-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(N2CCOCC2)nc1C(=O)NCCOC
InChIInChI=1S/C13H21N5O3/c1-14-10-9-16-13(18-4-7-21-8-5-18)17-11(10)12(19)15-3-6-20-2/h9,14H,3-8H2,1-2H3,(H,15,19)
InChIKeyRURYQGGXRGXUJA-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.27
Rot. Bonds6

About N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 68557110) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID68557110
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC NameN-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCNc1cnc(N2CCOCC2)nc1C(=O)NCCOC
InChIInChI=1S/C13H21N5O3/c1-14-10-9-16-13(18-4-7-21-8-5-18)17-11(10)12(19)15-3-6-20-2/h9,14H,3-8H2,1-2H3,(H,15,19)
InChIKeyRURYQGGXRGXUJA-UHFFFAOYSA-N
XLogP-0.27
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 68557110) is N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide is CNc1cnc(N2CCOCC2)nc1C(=O)NCCOC.
What is the InChIKey of N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is RURYQGGXRGXUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-14-10-9-16-13(18-4-7-21-8-5-18)17-11(10)12(19)15-3-6-20-2/h9,14H,3-8H2,1-2H3,(H,15,19).
What are the key properties of N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(methylamino)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 68557110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).