2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide

C20H25ClN4O3 — CID 122356780

IUPAC2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN4O3/c1-13-17(14(2)23-19(22-13)25-9-11-27-12-10-25)24-18(26)20(3,4)28-16-7-5-15(21)6-8-16/h5-8H,9-12H2,1-4H3,(H,24,26)
InChIKeyPIGTVQMBEMDWSK-UHFFFAOYSA-N
MW404.90 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide

2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide (PubChem CID 122356780) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide
PubChem CID122356780
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC Name2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H25ClN4O3/c1-13-17(14(2)23-19(22-13)25-9-11-27-12-10-25)24-18(26)20(3,4)28-16-7-5-15(21)6-8-16/h5-8H,9-12H2,1-4H3,(H,24,26)
InChIKeyPIGTVQMBEMDWSK-UHFFFAOYSA-N
XLogP3.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
CID 91967491
2-(4-chlorophenoxy)-N-(2-ethoxy-4,6-dimethylpyrimidin-5-yl)-2-methylpropanamide
CID 122355884
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 91968027
2-(4-chlorophenoxy)-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 3973227
2-(4-chlorophenoxy)-2-methyl-N-(6-methyl-2-pyridinyl)propanamide
CID 800401
2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17335046
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-3-methylbutanamide
CID 71807274
1-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-3-(4-methoxyphenyl)urea
CID 122356489
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
2-(4-chlorophenoxy)-N,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 4820759
2-chloro-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-4-fluorobenzamide
CID 91968602
2-(4-chlorophenoxy)-N-methoxy-2-methylpropanamide
CID 51279285

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide (CID 122356780) is 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide?
The InChIKey is PIGTVQMBEMDWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-13-17(14(2)23-19(22-13)25-9-11-27-12-10-25)24-18(26)20(3,4)28-16-7-5-15(21)6-8-16/h5-8H,9-12H2,1-4H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide?
2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide has a molecular weight of 404.90 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-methylpropanamide is sourced from PubChem (CID 122356780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).