N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C13H20N4O3 — CID 20959439

IUPACN-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C13H20N4O3/c1-19-6-2-3-14-12(18)11-9-15-13(16-10-11)17-4-7-20-8-5-17/h9-10H,2-8H2,1H3,(H,14,18)
InChIKeyBGAZVNAWPYYPRG-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.08
Rot. Bonds6

About N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 20959439) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID20959439
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C13H20N4O3/c1-19-6-2-3-14-12(18)11-9-15-13(16-10-11)17-4-7-20-8-5-17/h9-10H,2-8H2,1H3,(H,14,18)
InChIKeyBGAZVNAWPYYPRG-UHFFFAOYSA-N
XLogP0.08
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.08
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-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 20959439) is N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is BGAZVNAWPYYPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-19-6-2-3-14-12(18)11-9-15-13(16-10-11)17-4-7-20-8-5-17/h9-10H,2-8H2,1H3,(H,14,18).
What are the key properties of N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).