N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C15H24N4O2 — CID 71688607

IUPACN-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCOCCCNC(=O)c1cc(C)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-21-10-6-7-16-14(20)13-11-12(2)17-15(18-13)19-8-4-5-9-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyAJZKQVRVBDQWRJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.54
Rot. Bonds7

About N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 71688607) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID71688607
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCCOCCCNC(=O)c1cc(C)nc(N2CCCC2)n1
InChIInChI=1S/C15H24N4O2/c1-3-21-10-6-7-16-14(20)13-11-12(2)17-15(18-13)19-8-4-5-9-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyAJZKQVRVBDQWRJ-UHFFFAOYSA-N
XLogP1.54
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.54
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-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 71688607) is N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is CCOCCCNC(=O)c1cc(C)nc(N2CCCC2)n1.
What is the InChIKey of N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is AJZKQVRVBDQWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-21-10-6-7-16-14(20)13-11-12(2)17-15(18-13)19-8-4-5-9-19/h11H,3-10H2,1-2H3,(H,16,20).
What are the key properties of N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 71688607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).