2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide

C16H17ClN4O3 — CID 3039012

IUPAC2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1)NO
InChIInChI=1S/C16H17ClN4O3/c17-12-3-1-11(2-4-12)16-18-13(10-15(22)20-23)9-14(19-16)21-5-7-24-8-6-21/h1-4,9,23H,5-8,10H2,(H,20,22)
InChIKeyVXFRSBRHNBXIFT-UHFFFAOYSA-N
MW348.79 g/mol
LogP1.68
Rot. Bonds4

About 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide

2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide (PubChem CID 3039012) has the molecular formula C16H17ClN4O3 and a molecular weight of 348.79 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide
PubChem CID3039012
Molecular FormulaC16H17ClN4O3
Molecular Weight348.79 g/mol
Exact Mass348.10
IUPAC Name2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide
SMILESO=C(Cc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1)NO
InChIInChI=1S/C16H17ClN4O3/c17-12-3-1-11(2-4-12)16-18-13(10-15(22)20-23)9-14(19-16)21-5-7-24-8-6-21/h1-4,9,23H,5-8,10H2,(H,20,22)
InChIKeyVXFRSBRHNBXIFT-UHFFFAOYSA-N
XLogP1.68
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-1-(6-morpholin-4-yl-2-phenylpyrimidin-4-yl)methanesulfonamide
CID 69161181
2-methylsulfonyl-N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
CID 25168049
1-[2-(4-chlorophenyl)-6-ethylpyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56767841
2-cyano-N-[4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
CID 143742096
N-[4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-2-pyrimidin-2-ylacetamide
CID 25168728
N-[4-[4-[[dihydroxy(methyl)-λ4-sulfanyl]methyl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]-2-(dimethylamino)acetamide
CID 59535895
1-tert-butyl-3-[4-[4-(methylsulfanylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]urea
CID 143633340
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
[2-[4-(ethylcarbamoylamino)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]methyl-propan-2-ylsulfanium
CID 143633058
6-morpholin-4-yl-2-pyridin-4-ylpyrimidine-4-carboxylic acid
CID 82170295
2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
CID 56766948
[2-[4-[2-(dimethylamino)ethylcarbamoylamino]phenyl]-6-morpholin-4-ylpyrimidin-4-yl]methyl-ethylsulfanium
CID 143633229

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide (CID 3039012) is 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide is O=C(Cc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1)NO.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide?
The InChIKey is VXFRSBRHNBXIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3/c17-12-3-1-11(2-4-12)16-18-13(10-15(22)20-23)9-14(19-16)21-5-7-24-8-6-21/h1-4,9,23H,5-8,10H2,(H,20,22).
What are the key properties of 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide?
2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide has a molecular weight of 348.79 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-morpholin-4-ylpyrimidin-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 3039012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).