2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide

C20H25ClN4O3 — CID 91967491

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25ClN4O3/c1-14-12-16(24-19(23-14)25-8-10-27-11-9-25)13-22-18(26)20(2,3)28-17-6-4-15(21)5-7-17/h4-7,12H,8-11,13H2,1-3H3,(H,22,26)
InChIKeyOWXVHOKHQLFJJK-UHFFFAOYSA-N
MW404.90 g/mol
LogP2.75
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide (PubChem CID 91967491) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
PubChem CID91967491
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H25ClN4O3/c1-14-12-16(24-19(23-14)25-8-10-27-11-9-25)13-22-18(26)20(2,3)28-17-6-4-15(21)5-7-17/h4-7,12H,8-11,13H2,1-3H3,(H,22,26)
InChIKeyOWXVHOKHQLFJJK-UHFFFAOYSA-N
XLogP2.75
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide
CID 122356780
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122353733
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
1-(4-tert-butylphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353897
4-butoxy-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967481
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
2-chloro-4-fluoro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967484
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-phenylurea
CID 91967530
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967504
1-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 122353652
2,4-dimethyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967457
2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315956

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide (CID 91967491) is 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide is Cc1cc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide?
The InChIKey is OWXVHOKHQLFJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-14-12-16(24-19(23-14)25-8-10-27-11-9-25)13-22-18(26)20(2,3)28-17-6-4-15(21)5-7-17/h4-7,12H,8-11,13H2,1-3H3,(H,22,26).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide has a molecular weight of 404.90 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide is sourced from PubChem (CID 91967491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).