4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide

C19H18BrN5O3 — CID 59788242

IUPAC4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide
SMILESCOCc1ccc(Br)cc1-c1cc(Nc2ccc(C(=O)NO)cc2)nc(N)n1
InChIInChI=1S/C19H18BrN5O3/c1-28-10-12-2-5-13(20)8-15(12)16-9-17(24-19(21)23-16)22-14-6-3-11(4-7-14)18(26)25-27/h2-9,27H,10H2,1H3,(H,25,26)(H3,21,22,23,24)
InChIKeyBFKVMXRARZQCFR-UHFFFAOYSA-N
MW444.29 g/mol
LogP3.50
Rot. Bonds6

About 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide

4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide (PubChem CID 59788242) has the molecular formula C19H18BrN5O3 and a molecular weight of 444.29 g/mol. Its IUPAC name is 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide
PubChem CID59788242
Molecular FormulaC19H18BrN5O3
Molecular Weight444.29 g/mol
Exact Mass443.06
IUPAC Name4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide
SMILESCOCc1ccc(Br)cc1-c1cc(Nc2ccc(C(=O)NO)cc2)nc(N)n1
InChIInChI=1S/C19H18BrN5O3/c1-28-10-12-2-5-13(20)8-15(12)16-9-17(24-19(21)23-16)22-14-6-3-11(4-7-14)18(26)25-27/h2-9,27H,10H2,1H3,(H,25,26)(H3,21,22,23,24)
InChIKeyBFKVMXRARZQCFR-UHFFFAOYSA-N
XLogP3.50
TPSA122.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.29
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

6-[5-bromo-2-[(2-methoxyphenoxy)methyl]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788238
(NE)-N-[1-[4-[[2-amino-6-(5-bromo-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethylidene]hydroxylamine
CID 59788231
6-[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607106
6-(5-bromo-2-propan-2-yloxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 59788223
6-(5-bromo-2-methylphenyl)-4-N-(4-nitrophenyl)pyrimidine-2,4-diamine
CID 11384005
6-(5-bromo-2-butoxyphenyl)-4-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 42607220
N-(4-aminophenyl)-4-[(2,6-diaminopyrimidin-4-yl)amino]benzamide
CID 59457974
[4-[[2-amino-6-(5-chloro-2-ethoxyphenyl)pyrimidin-4-yl]amino]phenyl]methyl 2-aminoacetate
CID 11235689
N-[1-[4-[[2-amino-6-(2,5-dichlorophenyl)pyrimidin-4-yl]amino]phenyl]ethylidene]hydroxylamine
CID 74818738
4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide
CID 117079194
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
5-[5-bromo-2-(methoxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117496616

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide?
The IUPAC name of 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide (CID 59788242) is 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide?
The canonical SMILES for 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide is COCc1ccc(Br)cc1-c1cc(Nc2ccc(C(=O)NO)cc2)nc(N)n1.
What is the InChIKey of 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide?
The InChIKey is BFKVMXRARZQCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5O3/c1-28-10-12-2-5-13(20)8-15(12)16-9-17(24-19(21)23-16)22-14-6-3-11(4-7-14)18(26)25-27/h2-9,27H,10H2,1H3,(H,25,26)(H3,21,22,23,24).
What are the key properties of 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide?
4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide has a molecular weight of 444.29 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-6-[5-bromo-2-(methoxymethyl)phenyl]pyrimidin-4-yl]amino]-N-hydroxybenzamide is sourced from PubChem (CID 59788242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).