2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide

C18H23ClN4O2 — CID 3039010

IUPAC2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide
SMILESCCCN(CCC)c1cc(CC(=O)NO)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O2/c1-3-9-23(10-4-2)16-11-15(12-17(24)22-25)20-18(21-16)13-5-7-14(19)8-6-13/h5-8,11,25H,3-4,9-10,12H2,1-2H3,(H,22,24)
InChIKeyCYJJOAZMWADJES-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.47
Rot. Bonds8

About 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide

2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide (PubChem CID 3039010) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide
PubChem CID3039010
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide
SMILESCCCN(CCC)c1cc(CC(=O)NO)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H23ClN4O2/c1-3-9-23(10-4-2)16-11-15(12-17(24)22-25)20-18(21-16)13-5-7-14(19)8-6-13/h5-8,11,25H,3-4,9-10,12H2,1-2H3,(H,22,24)
InChIKeyCYJJOAZMWADJES-UHFFFAOYSA-N
XLogP3.47
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide (CID 3039010) is 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide is CCCN(CCC)c1cc(CC(=O)NO)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide?
The InChIKey is CYJJOAZMWADJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-3-9-23(10-4-2)16-11-15(12-17(24)22-25)20-18(21-16)13-5-7-14(19)8-6-13/h5-8,11,25H,3-4,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide?
2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide has a molecular weight of 362.86 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6-(dipropylamino)pyrimidin-4-yl]-N-hydroxyacetamide is sourced from PubChem (CID 3039010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).