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

C12H18N4O3 — CID 20959420

IUPACN-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C12H18N4O3/c1-18-5-2-13-11(17)10-8-14-12(15-9-10)16-3-6-19-7-4-16/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyNBDWWTBNNQDVHP-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.31
Rot. Bonds5

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

N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 20959420) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID20959420
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C12H18N4O3/c1-18-5-2-13-11(17)10-8-14-12(15-9-10)16-3-6-19-7-4-16/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyNBDWWTBNNQDVHP-UHFFFAOYSA-N
XLogP-0.31
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 20959420) is N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is COCCNC(=O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is NBDWWTBNNQDVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-18-5-2-13-11(17)10-8-14-12(15-9-10)16-3-6-19-7-4-16/h8-9H,2-7H2,1H3,(H,13,17).
What are the key properties of N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).