2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide

C18H22ClN5O2 — CID 91969330

IUPAC2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN5O2/c1-23(2)17-15(11-20-18(22-17)24-9-3-4-10-24)21-16(25)12-26-14-7-5-13(19)6-8-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,25)
InChIKeyTZSOSBINQUZDGG-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.81
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide

2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide (PubChem CID 91969330) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
PubChem CID91969330
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
SMILESCN(C)c1nc(N2CCCC2)ncc1NC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN5O2/c1-23(2)17-15(11-20-18(22-17)24-9-3-4-10-24)21-16(25)12-26-14-7-5-13(19)6-8-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,25)
InChIKeyTZSOSBINQUZDGG-UHFFFAOYSA-N
XLogP2.81
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320175
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]acetamide
CID 122319306
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
2-cyclopentyl-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide
CID 122319908
2-cyclopentyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
CID 122320170
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbutanamide
CID 91969320
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
(E)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122319992
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320438
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122320015
2-(1-adamantyl)-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]acetamide
CID 122320232
4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide (CID 91969330) is 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide is CN(C)c1nc(N2CCCC2)ncc1NC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide?
The InChIKey is TZSOSBINQUZDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-23(2)17-15(11-20-18(22-17)24-9-3-4-10-24)21-16(25)12-26-14-7-5-13(19)6-8-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide?
2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide has a molecular weight of 375.86 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 91969330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).