N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C12H18N4O2 — CID 20863909

IUPACN-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C12H18N4O2/c1-18-7-4-13-11(17)10-8-14-12(15-9-10)16-5-2-3-6-16/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyLAOIDFPFEYIGHB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.45
Rot. Bonds5

About N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 20863909) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID20863909
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCCC2)nc1
InChIInChI=1S/C12H18N4O2/c1-18-7-4-13-11(17)10-8-14-12(15-9-10)16-5-2-3-6-16/h8-9H,2-7H2,1H3,(H,13,17)
InChIKeyLAOIDFPFEYIGHB-UHFFFAOYSA-N
XLogP0.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 20863909) is N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is COCCNC(=O)c1cnc(N2CCCC2)nc1.
What is the InChIKey of N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is LAOIDFPFEYIGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-18-7-4-13-11(17)10-8-14-12(15-9-10)16-5-2-3-6-16/h8-9H,2-7H2,1H3,(H,13,17).
What are the key properties of N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20863909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).