5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C19H23ClN4O2 — CID 55736170

IUPAC5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)cc1
InChIInChI=1S/C19H23ClN4O2/c1-14-5-7-15(8-6-14)26-12-11-23(2)18(25)17-16(20)13-21-19(22-17)24-9-3-4-10-24/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyUTBMPUWUZHLACX-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.19
Rot. Bonds6

About 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 55736170) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID55736170
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1ccc(OCCN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)cc1
InChIInChI=1S/C19H23ClN4O2/c1-14-5-7-15(8-6-14)26-12-11-23(2)18(25)17-16(20)13-21-19(22-17)24-9-3-4-10-24/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyUTBMPUWUZHLACX-UHFFFAOYSA-N
XLogP3.19
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 55736170) is 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1ccc(OCCN(C)C(=O)c2nc(N3CCCC3)ncc2Cl)cc1.
What is the InChIKey of 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is UTBMPUWUZHLACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-14-5-7-15(8-6-14)26-12-11-23(2)18(25)17-16(20)13-21-19(22-17)24-9-3-4-10-24/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 55736170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).